SCHEMBL3451891

SCHEMBL3451891

COCCN1CCN(CCCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSD11B1 P28845 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.38
PIM1 P11309 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.35
HTR7 P34969 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29313195 0.94 GBA1 (0.43) GBA1LMNAPOLBHSD11B1MEN1
SCHEMBL8880910 0.91 MEN1 (0.45) GBA1LMNAPOLBHSD11B1MEN1
SCHEMBL3318844 0.86 GBA1 (0.47) GBA1LMNAHSD11B1MEN1KMT2A
SCHEMBL6043324 0.85 MEN1 (0.41) GBA1LMNAPOLBHSD11B1MEN1
SCHEMBL10930283 0.84 HSD11B1 (0.42) GBA1HSD11B1ALDH1A1KDM4E
SCHEMBL4893194 0.83 HSD11B1 (0.47) GBA1POLBHSD11B1MEN1KMT2A
SCHEMBL6057032 0.83
SCHEMBL8149011 0.83 HSD11B1 (0.47) GBA1POLBHSD11B1MEN1KMT2A
SCHEMBL8881087 0.83 ALDH1A1 (0.43) GBA1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL20231217 0.82 HSD11B1 (0.41) HSD11B1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2020-07-28 US disclosed
US-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
WO-2018119448-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
US-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 US disclosed
US-7504416-B2 4-substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20080027054-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB 2008-01-31 US disclosed
US-7253184-B2 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2007-08-07 US disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 EP disclosed
US-20050101630-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2005-05-12 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-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 WO disclosed
EP-1337513-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2002036570-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-05-10 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 (8 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-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL GBA1 2625/4885LMNA 1887/4885POLB 3156/4885
US-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 GBA1 3428/4885LMNA 3367/4885POLB 2618/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 GBA1 3407/4885LMNA 3726/4885POLB 2324/4885
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES CTSK, CTSS, CTSZ GBA1 454/4885LMNA 3229/4885POLB 4068/4885
US-20080027054-A1 4-Substituted quinolines as antitumor agents CCNY, TPD52L2, H1-10 GBA1 1930/4885LMNA 994/4885POLB 1028/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE GBA1 638/4885LMNA 3123/4885POLB 4536/4885
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides CRBN, ARAF, VHL GBA1 2625/4885LMNA 1887/4885POLB 3156/4885
US-20050101630-A1 4-Substituted quinolines as antitumor agents NQO2, TPD52L2, MLX GBA1 735/4885LMNA 1361/4885POLB 2289/4885

“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.