SCHEMBL3318844

SCHEMBL3318844

COCCN1CCN(CCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD11B1 P28845 1/20 0.45
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 5/20 0.40
CYP2D6 P10635 1/20 0.40
HTR7 P34969 1/20 0.40
MEN1 O00255 3/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.37

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
SCHEMBL8149011 0.87 HSD11B1 (0.47) GBA1ALDH1A1KDM4EHSD11B1KMT2A
SCHEMBL4893194 0.87 HSD11B1 (0.47) GBA1ALDH1A1KDM4EHSD11B1KMT2A
SCHEMBL6057032 0.87
SCHEMBL8881087 0.86 ALDH1A1 (0.43) GBA1ALDH1A1KDM4ELMNAHTT
SCHEMBL3451891 0.86 GBA1 (0.44) GBA1ALDH1A1KDM4EHSD11B1LMNA
SCHEMBL27372835 0.85 ALDH1A1 (0.42) GBA1ALDH1A1KDM4ELMNAHTT
SCHEMBL29313195 0.85 GBA1 (0.43) GBA1ALDH1A1HSD11B1LMNAKMT2A
SCHEMBL18413009 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHSD11B1LMNAHTT
SCHEMBL84800 0.80 HSD11B1 (0.43) GBA1ALDH1A1KDM4EHSD11B1KMT2A
SCHEMBL235856 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512842-B1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS INC (US) 2024-01-17 EP disclosed
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 EP disclosed
WO-2023096987-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 WO disclosed
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-07-22 US disclosed
WO-2021133886-A1 COMBINATIONS OF ESTROGEN RECEPTOR DEGRADERS AND CYCLIN-DEPENDENT KINASE INHIBITORS FOR TREATING CANCER Accutar Biotechnology (US) 2021-07-01 WO disclosed
WO-2021118629-A1 NOVEL CHROMAN DERIVATIVES HAVING ESTROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2021-06-17 WO disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2020-07-28 US disclosed
WO-2010087430-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2010-08-05 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
WO-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 WO disclosed
WO-2007102679-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-09-13 WO disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (6 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 GBA1 3428/4885ALDH1A1 3334/4885KDM4E 2435/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 GBA1 3407/4885ALDH1A1 4094/4885KDM4E 2238/4885
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL GBA1 1431/4885ALDH1A1 4031/4885KDM4E 1254/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN GBA1 1669/4885ALDH1A1 4021/4885KDM4E 1434/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS GBA1 1056/4885ALDH1A1 649/4885KDM4E 2169/4885
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides CRBN, ARAF, VHL GBA1 2625/4885ALDH1A1 2833/4885KDM4E 3116/4885

“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.