SCHEMBL3228019

SCHEMBL3228019

CCOC(=O)C12CC1CN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL31254224 1.00 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL13537596 1.00 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL928913 0.92 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL15312513 0.89 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL17463418 0.88 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL18428269 0.88 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL15416062 0.87 CYP2D6 (0.44) CYP2D6GAAALDH1A1SIGMAR1
SCHEMBL21480267 0.85 KDM4E (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL21480263 0.85 KDM4E (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL8320745 0.85 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079960-A Alkynyl quinazoline compounds 2026-05-26 CN disclosed
EP-4013749-B1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-03-11 EP disclosed
US-20260049063-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-19 US disclosed
US-12435046-B2 Alkynyl quinazoline compounds BLACK DIAMOND THERAPEUTICS, INC. (US) 2025-10-07 US disclosed
CN-119390683-A Alkynyl quinazoline compounds 黑钻治疗公司 2025-02-07 CN disclosed
US-20220298120-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS, INC. 2022-09-22 US disclosed
EP-4013749-A1 ALKYNYL QUINAZOLINE COMPOUNDS Black Diamond Therapeutics, Inc. (US) 2022-06-22 EP disclosed
WO-2021030711-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-02-18 WO disclosed
WO-2021030711-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-02-18 WO disclosed
US-10398677-B2 N-phenyl-carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-09-03 US disclosed
US-20130274299-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MAPLIGHT THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130274299-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MAPLIGHT THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MAPLIGHT THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MAPLIGHT THERAPEUTICS, INC. 2011-10-27 US disclosed
WO-2010007032-A1 PIPERIDINE BASED UREAS AS NK1 ANTAGONISTS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2010-01-21 WO disclosed
US-7592359-B2 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-09-22 US disclosed
US-20070287732-A1 Substituted Azabicyclo Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-12-13 US disclosed
EP-1615634-B1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2007-05-16 EP disclosed
EP-1615634-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2006-01-18 EP disclosed
WO-2004089363-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 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 (7 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-10398677-B2 N-phenyl-carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, PYGL, XDH CYP3A4 148/4885CYP2D6 674/4885CYP2C9 741/4885
US-12435046-B2 Alkynyl quinazoline compounds GLS, GLS2, MCL1 CYP3A4 3363/4885CYP2D6 2457/4885CYP2C9 4145/4885
US-20130274299-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 CYP3A4 658/4885CYP2D6 1233/4885CYP2C9 1701/4885
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, ACHE, CHRM4 CYP3A4 369/4885CYP2D6 596/4885CYP2C9 1060/4885
US-20220298120-A1 ALKYNYL QUINAZOLINE COMPOUNDS GLS, GLS2, MCL1 CYP3A4 3363/4885CYP2D6 2457/4885CYP2C9 4145/4885
US-20070287732-A1 Substituted Azabicyclo Hexane Derivatives as Muscarinic Receptor Antagonists CHRM5, CHRM3, CHRM2 CYP3A4 327/4885CYP2D6 247/4885CYP2C9 497/4885
US-20260049063-A1 ALKYNYL QUINAZOLINE COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, BCL6 CYP3A4 1572/4885CYP2D6 73/4885CYP2C9 1541/4885

“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.