SCHEMBL14907482

SCHEMBL14907482

C1=c2ccncc2=CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL15935159 0.84
SCHEMBL23018985 0.70 SIGMAR1 (0.30) SIGMAR1
SCHEMBL26214444 0.70 SIGMAR1 (0.30) SIGMAR1
SCHEMBL22962411 0.70 SIGMAR1 (0.30) SIGMAR1
SCHEMBL10585695 0.69
SCHEMBL2007103 0.69 SIGMAR1 (0.33) SIGMAR1CHRNB2CHRNA4
SCHEMBL28062586 0.69 SIGMAR1 (0.33) SIGMAR1CHRNB2CHRNA4
SCHEMBL12162392 0.68
SCHEMBL23967614 0.68 GAA (0.31) GAA
SCHEMBL13149497 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247371-A Preparation method of CYP11B2 inhibitor BAXDROSTAT 上海相辉医药科技有限公司 2023-12-19 CN claimed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
CN-117247371-A Preparation method of CYP11B2 inhibitor BAXDROSTAT 上海相辉医药科技有限公司 2023-12-19 CN disclosed
US-20230127965-A1 METHODS FOR TREATING, AMELIORATING, OR PREVENTING VIRAL INFECTIONS UNIV JEFFERSON (US) 2023-04-27 US disclosed
EP-3799144-B1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2022-06-01 EP disclosed
US-20210291156-A1 CATALYST COMPOSITIONS FOR HYDROFORMYLATION AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2021-09-23 US disclosed
EP-3328379-B1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2021-07-28 EP disclosed
US-20200297875-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-09-24 US disclosed
US-10675367-B2 Deuterated compounds and uses thereof GENENTECH INC. (US) 2020-06-09 US disclosed
CN-106946911-B Alkaloid compound and preparation method thereof in a kind of Tianshan Mountains violet 中国科学院新疆理化技术研究所 2019-07-12 CN disclosed
WO-2015027015-A1 IMIDAZOLE-DERIVED MODULATORS OF THE GLUCOCORTICOID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-26 WO disclosed
WO-2015027021-A1 IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-26 WO disclosed
WO-2014074661-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
WO-2014074675-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
WO-2014074660-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
WO-2014074670-A1 ALKYL AMIDE-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL IN THE MODULATION OF IL-12, IL-23 AND/OR IFNα BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
WO-2013106614-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
WO-2013106641-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
WO-2013106612-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
WO-2013059928-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2013-05-02 WO 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 (4 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-20230127965-A1 METHODS FOR TREATING, AMELIORATING, OR PREVENTING VIRAL INFECTIONS TMEM97, SIGMAR1, OPRL1 SIGMAR1 2/4885CHRNB2 135/4885CHRNA4 365/4885
US-20200297875-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 SIGMAR1 97/4885CHRNB2 2663/4885CHRNA4 2205/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP SIGMAR1 4616/4885CHRNB2 4567/4885CHRNA4 4742/4885
US-10675367-B2 Deuterated compounds and uses thereof SLC10A1, AVPR2, SLC9B2 SIGMAR1 97/4885CHRNB2 2663/4885CHRNA4 2205/4885

“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.