SCHEMBL1165734

SCHEMBL1165734

CC(=O)N1CCc2c[c]ccc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.60
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL6228834 0.90 NOTUM (0.62) NOTUMTP53SMN1; SMN2CYP11B2ALDH1A1
SCHEMBL2224344 0.87 NOTUM (0.60) NOTUMSMN1; SMN2ALDH1A1
SCHEMBL4190832 0.80 CA12 (0.52) NOTUMNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL698549 0.80 TSHR (0.63) MAPTRAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL20914962 0.79 GPR119 (0.43) NOTUMNPC1RAB9A
SCHEMBL697671 0.78 HPGD (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1450297 0.78 NOTUM (0.62) NOTUMTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL16907882 0.77 NOTUM (0.56) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL4740743 0.77 CYP11B1 (0.63) NOTUMCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL6720086 0.77 SIGMAR1 (0.42) NOTUMNPC1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO claimed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-8058289-B2 Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors MERCK SERONO SA (CH) 2011-11-15 US disclosed
US-6638956-B2 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2003-10-28 US disclosed
US-20030144251-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2003-07-31 US disclosed
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
US-6525069-B1 Such as N-(t-butyl)-N'-(2-((3-(4-fluorophenyl)methyl)piperi -dinyl)methyl)cyclohexyl)urea; prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-02-25 US disclosed
US-6492400-B1 SUCH AS N-(2,5-DIFLUOROPHENYL)-N'-(2-((4-(PHENYLMETHYL)-1 -PIPERIDINYL)METHYL)PHENYL)UREA; PREVENTION OF ASTHMA AND OTHER ALLERGIC DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-10 US disclosed
US-6486180-B1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-26 US disclosed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
US-6444686-B1 FOR THE PREVENTION OF ASTHMA AND OTHER ALLERGIC DISEASES. BRSITOL-MYERS SQUIBB PHARMA COMPANY 2002-09-03 US disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 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 (4 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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 NOTUM 737/4885NPC1 503/4885TP53 2562/4885
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A NOTUM 4299/4885NPC1 1592/4885TP53 4429/4885
US-20030144251-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 NOTUM 421/4885NPC1 2972/4885TP53 4861/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 NOTUM 737/4885NPC1 503/4885TP53 2562/4885

“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.