SCHEMBL14818017

SCHEMBL14818017

CN1CCC2(CCN(I)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.34
CYP2C19 P33261 1/20 0.33
DRD4 P21917 1/20 0.32
OPRM1 P35372 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL15679557 0.89 CYP3A4 (0.46) CYP3A4CYP2D6CYP1A2TSHRUSP2
SCHEMBL19978992 0.88 CYP3A4 (0.37) CYP3A4CYP2D6CYP1A2TSHRUSP2
SCHEMBL18914515 0.88 TSHR (0.35) CYP3A4CYP2D6CYP1A2TSHRUSP2
SCHEMBL19978993 0.88 USP2 (0.32) CYP3A4CYP2D6CYP1A2TSHRUSP2
SCHEMBL18390364 0.88 USP2 (0.39) CYP3A4CYP2D6CYP1A2TSHRUSP2
SCHEMBL19704965 0.85 TSHR (0.36) CYP3A4CYP2D6CYP1A2TSHRDRD4
SCHEMBL20218197 0.85 USP2 (0.32) CYP3A4CYP2D6CYP1A2TSHRUSP2
SCHEMBL19979493 0.84
SCHEMBL1753720 0.84 CYP3A4 (0.42) CYP3A4CYP2D6CYP1A2TSHRUSP2
SCHEMBL19264173 0.82 USP2 (0.43) CYP3A4CYP2D6CYP1A2TSHRUSP2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-10 US disclosed
EP-3337460-B1 COMPOSITIONS COMPRISING TRICYCLIC HETEROCYCLIC COMPOUNDS CONVALIFE SHANGHAI CO LTD (CN) 2023-02-15 EP disclosed
EP-3337477-B1 COMPOSITIONS COMPRISING PHOSPHOINOSITIDE 3-KINASE INHIBITORS AND A SECOND ANTIPROLIFERATIVE AGENT CONVALIFE SHANGHAI CO LTD (CN) 2023-02-01 EP disclosed
WO-2022127847-A1 PYRIMIDONE DERIVATIVE AND APPLICATION THEREOF IN DRUG 广东东阳光药业有限公司 2022-06-23 WO disclosed
EP-3512857-B1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
WO-2020200069-A1 PYRROLOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2020-10-08 WO disclosed
EP-3456355-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR Karus Therapeutics Ltd (GB) 2019-03-20 EP disclosed
EP-2980087-B1 PRODRUGS OF BICYCLIC SUBSTITUTED PYRIMIDINE TYPE PDE-5 INHIBITORS XUANZHU PHARMA CO LTD (CN) 2018-06-06 EP disclosed
EP-3105233-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS KARUS THERAPEUTICS LTD (GB) 2018-03-28 EP disclosed
WO-2018050686-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2018-03-22 WO disclosed
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
WO-2017029517-A1 COMPOSITIONS COMPRISING PHOSPHOINOSITIDE 3-KINASE INHIBITORS AND A SECOND ANTIPROLIFERATIVE AGENT KARUS THERAPEUTICS LTD (GB) 2017-02-23 WO disclosed
WO-2017029514-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR KARUS THERAPEUTICS LTD (GB) 2017-02-23 WO disclosed
WO-2017029518-A1 COMPOSITIONS COMPRISING TRICYCLIC HETEROCYCLIC COMPOUNDS KARUS THERAPEUTICS LTD (GB) 2017-02-23 WO disclosed
EP-1802636-B1 PI3 KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-03-27 EP 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 (2 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 CYP3A4 4575/4885CYP2D6 4546/4885CYP1A2 4616/4885
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 CYP3A4 4575/4885CYP2D6 4546/4885CYP1A2 4616/4885

“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.