SCHEMBL425355

SCHEMBL425355

CC(C)CN1CCC(C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CD O00329 4/20 0.41
CYP2D6 P10635 4/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KCNH2 Q12809 1/20 0.41
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MGAT2 Q10469 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL426516 0.92 HTT (0.44) TSHRNPSR1HTTL3MBTL1PIK3CD
SCHEMBL425344 0.88 PIK3CD (0.42) TSHRNPSR1HTTL3MBTL1PIK3CD
SCHEMBL12384753 0.83 TSHR (0.48) TSHRNPSR1HTTL3MBTL1CYP2D6
SCHEMBL26010149 0.83 TSHR (0.41) TSHRNPSR1HTTL3MBTL1CYP2D6
SCHEMBL12166745 0.83 TSHR (0.41) TSHRNPSR1HTTL3MBTL1CYP2D6
SCHEMBL21929570 0.83 PIK3CD (0.38) TSHRNPSR1HTTL3MBTL1PIK3CD
SCHEMBL3422467 0.83 PIK3CD (0.41) TSHRNPSR1HTTL3MBTL1PIK3CD
SCHEMBL12384747 0.81 TSHR (0.42) TSHRNPSR1HTTL3MBTL1CYP2D6
SCHEMBL14533477 0.81 PIK3CD (0.39) TSHRPIK3CDCYP2D6HRH3KCNH2
SCHEMBL26010192 0.81 TSHR (0.42) TSHRNPSR1HTTL3MBTL1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018134-A1 6-Substituted Pyridazine Compounds as SMARCA2 and/or SMARCA4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2024-01-18 US disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed
US-20220396548-A1 IONIZABLE LIPIDS FOR NUCLEIC ACID DELIVERY GLOBAL LIFE SCIENCES SOLUTIONS CANADA ULC (CA) 2022-12-15 US disclosed
US-20220177508-A1 C10-Cyclic Substituted 13-Membered Macrolides and Uses Thereof ZIKANI THERAPEUTICS, INC. 2022-06-09 US disclosed
US-20210078936-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2021-03-18 US disclosed
US-10906867-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2021-02-02 US disclosed
US-10844002-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-11-24 US disclosed
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-20190002393-A1 Lipids and Lipid Compositions for the Delivery of Active Agents NOVARTIS AG (CH) 2019-01-03 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 TSHR 3652/4885NPSR1 4497/4885HTT 4744/4885
US-10844002-B2 Lipids and lipid compositions for the delivery of active agents LRAT, LIPA, LPAR1 TSHR 584/4885NPSR1 1765/4885HTT 2393/4885
US-20220396548-A1 IONIZABLE LIPIDS FOR NUCLEIC ACID DELIVERY RNASEH1, NSUN3, SLC67A1 TSHR 2325/4885NPSR1 2109/4885HTT 2342/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 TSHR 1879/4885NPSR1 1446/4885HTT 4684/4885
US-20210078936-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS LPAR1, LPAR4, LIPA TSHR 1257/4885NPSR1 598/4885HTT 2868/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD TSHR 2654/4885NPSR1 2754/4885HTT 4707/4885
US-20240018134-A1 6-Substituted Pyridazine Compounds as SMARCA2 and/or SMARCA4 Degraders SMARCC1, SMARCC2, SMARCA4 TSHR 3092/4885NPSR1 4021/4885HTT 3162/4885
US-10906867-B2 Lipids and lipid compositions for the delivery of active agents LPAR1, LPAR4, LIPA TSHR 1257/4885NPSR1 598/4885HTT 2868/4885
US-20220177508-A1 C10-Cyclic Substituted 13-Membered Macrolides and Uses Thereof RPS14, RPL12, RPL13A TSHR 2929/4885NPSR1 3343/4885HTT 1767/4885
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 TSHR 1567/4885NPSR1 763/4885HTT 2046/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TSHR 2621/4885NPSR1 1871/4885HTT 4749/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 TSHR 1567/4885NPSR1 763/4885HTT 2046/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 TSHR 1567/4885NPSR1 763/4885HTT 2046/4885
US-20190002393-A1 Lipids and Lipid Compositions for the Delivery of Active Agents LRAT, LIPA, LPAR1 TSHR 584/4885NPSR1 1765/4885HTT 2393/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD TSHR 2653/4885NPSR1 2742/4885HTT 4741/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB TSHR 3332/4885NPSR1 4646/4885HTT 4857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.