SCHEMBL37939

SCHEMBL37939

O=C(O)N1CCCC1CO

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
SPHK2 Q9NRA0 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
RAB9A P51151 2/20 0.38
RIPK1 Q13546 1/20 0.38
EPHX2 P34913 1/20 0.38
VNN1 O95497 1/20 0.37
ACE P12821 1/20 0.37
PDK2 Q15119 1/20 0.36
NPC1 O15118 1/20 0.36
ROCK2 O75116 1/20 0.35

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
SCHEMBL2876578 1.00 POLB (0.73) POLBL3MBTL1MEN1KMT2ADPP4
SCHEMBL1003464 1.00 POLB (0.73) POLBL3MBTL1MEN1KMT2ADPP4
SCHEMBL2679258 0.94 L3MBTL1 (0.64) POLBL3MBTL1MEN1KMT2ADPP4
SCHEMBL1857058 0.94 L3MBTL1 (0.64) POLBL3MBTL1MEN1KMT2ADPP4
SCHEMBL2904191 0.94 L3MBTL1 (0.64) POLBL3MBTL1MEN1KMT2ADPP4
SCHEMBL23533074 0.92 L3MBTL1 (0.62) POLBL3MBTL1MEN1KMT2ADPP4
SCHEMBL15515007 0.86
SCHEMBL2566249 0.86
SCHEMBL2568389 0.86
SCHEMBL18426199 0.85 POLB (0.59) POLBL3MBTL1MEN1KMT2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920172-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 EP claimed
WO-2014075393-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2014-05-22 WO claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US claimed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP claimed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 US claimed
EP-1896030-A1 COMBINATIONS OF ERBB2 INHIBITORS WITH OTHER THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER Pfizer Products Incorporated (US) 2008-03-12 EP claimed
EP-1448551-B1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH OSI PHARM INC (US) 2007-10-31 EP claimed
WO-2006129163-A1 COMBINATIONS OF ERBB2 INHIBITORS WITH OTHER THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2006-12-07 WO claimed
CN-1838959-A Dosing regimen for ERBB2 anti-cancer agent PFIZER (US) 2006-09-27 CN claimed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US claimed
WO-2005016347-A1 DOSING SCHEDULE FOR ERBB2 ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2005-02-24 WO claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
EP-1448551-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2004-08-25 EP claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
US-20030144506-A1 Processes for the preparation of substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC. 2003-07-31 US claimed
WO-2003045939-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2003-06-05 WO claimed
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN POLB 1495/4885L3MBTL1 3419/4885MEN1 4752/4885
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 POLB 2514/4885L3MBTL1 340/4885MEN1 1199/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR POLB 2183/4885L3MBTL1 870/4885MEN1 1936/4885
US-20030144506-A1 Processes for the preparation of substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNE1, CCNT1 POLB 1316/4885L3MBTL1 886/4885MEN1 1194/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE POLB 2141/4885L3MBTL1 4113/4885MEN1 4485/4885

“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.