SCHEMBL13638472

SCHEMBL13638472

CN1CCC2(CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.35
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33
NEK2 P51955 1/20 0.32

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
SCHEMBL20201105 0.94 USP2 (0.41) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL8470445 0.94 TSHR (0.39) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL26041077 0.91 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL20047143 0.91 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL20411533 0.91 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL27380027 0.91 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL1375292 0.91 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL13890773 0.91 TSHR (0.38) TSHRUSP2CYP1A2HIF1ACYP3A4
SCHEMBL1753867 0.90 TSHR (0.43) TSHRCYP1A2HIF1AMAPK1NEK2
Hydrochloric Acid SCHEMBL1373582 0.88 TSHR (0.37) TSHRUSP2CYP1A2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151557-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-07-18 WO disclosed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
WO-2024119277-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-06-13 WO disclosed
WO-2024081345-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-04-18 WO disclosed
WO-2023239710-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2023-12-14 WO disclosed
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-30 US disclosed
US-11814373-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-20140288063-A1 Heterocyclic Substituted Pyrimidine Compound Xuanzhu Pharma Co., Ltd. (CN) 2014-09-25 US disclosed
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 US disclosed
US-20130131132-A1 N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013013505-A1 9-AMINOMETHYL SUBSTITUTED TETRACYCLINE COMPOUND 山东亨利医药科技有限责任公司 (CN) 2013-01-31 WO disclosed
WO-2013013504-A1 TIGECYCLINE DERIVATIVE 山东亨利医药科技有限责任公司 (CN) 2013-01-31 WO disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 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 (11 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-20130131132-A1 N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, NMT1 TSHR 3142/4885USP2 4090/4885CYP1A2 278/4885
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TSHR 2109/4885USP2 2208/4885CYP1A2 4590/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO TSHR 4650/4885USP2 3621/4885CYP1A2 1763/4885
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB TSHR 557/4885USP2 3145/4885CYP1A2 642/4885
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES GIPR, GLP1R, GHSR TSHR 51/4885USP2 3484/4885CYP1A2 2334/4885
US-20140288063-A1 Heterocyclic Substituted Pyrimidine Compound PDE3B, PDE5A, PDE3A TSHR 2309/4885USP2 4154/4885CYP1A2 1019/4885
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 TSHR 2950/4885USP2 3960/4885CYP1A2 132/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 TSHR 2102/4885USP2 3584/4885CYP1A2 2898/4885
US-11814373-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS TSHR 3846/4885USP2 1731/4885CYP1A2 4367/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR TSHR 50/4885USP2 3488/4885CYP1A2 2345/4885
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 TSHR 4430/4885USP2 2538/4885CYP1A2 4773/4885

“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.