SCHEMBL718121

SCHEMBL718121

COC(=O)C1CCN(C(N)=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
GAA P10253 3/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.55
ALDH1A1 P00352 7/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14742377 0.89 SMN1; SMN2 (0.57) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL485162 0.82 SMN1; SMN2 (0.62) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL5271075 0.82 SMN1; SMN2 (0.62) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL3861785 0.82 SMN1; SMN2 (0.62) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL23937267 0.80 SMN1; SMN2 (0.61) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL13041496 0.80 SMN1; SMN2 (0.61) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL6978823 0.80 SMN1; SMN2 (0.61) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL30734430 0.79 HRH3 (0.59) SMN1; SMN2GAAPOLBALDH1A1TSHR
SCHEMBL5010663 0.79 MAPT (0.68) GAAPOLBALDH1A1NPC1TSHR
SCHEMBL716530 0.79 SMN1; SMN2 (0.46) SMN1; SMN2GAAPOLBTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
CN-105473585-B Piperidine carboxylic acid derivative as fungicide 拜耳作物科学股份公司 2018-04-13 CN disclosed
US-20170044136-A1 Pyridinoylpiperidines As 5-HT1F Agonists LILLY CO ELI (US) 2017-02-16 US disclosed
US-20150376178-A1 Pyridinoylpiperidines As 5-HT1F Agonists ELI LILLY AND COMPANY 2015-12-31 US disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
WO-2015066515-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH RECEPTOS, INC. (US) 2015-05-07 WO disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8044207-B2 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2011-10-25 US disclosed
US-20090209563-A1 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY 2009-08-20 US disclosed
US-20080300407-A1 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY (IN) 2008-12-04 US disclosed
US-7423050-B2 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
CN-1889951-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-01-03 CN disclosed
EP-1492786-B1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS LILLY CO ELI (US) 2006-10-04 EP disclosed
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists ELI LILLY AND COMPANY 2005-10-06 US disclosed
EP-1492786-A1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003084949-A1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2003-10-16 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-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 SMN1; SMN2 4772/4885GAA 4778/4885POLB 3067/4885
US-20080300407-A1 Pyridinoylpiperidines as 5-HT1F agonists HTR1F, HTR1A, HTR1E SMN1; SMN2 2696/4885GAA 4879/4885POLB 4473/4885
US-20170044136-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E SMN1; SMN2 2496/4885GAA 4875/4885POLB 4463/4885
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists HTR1F, HTR1A, HTR1E SMN1; SMN2 2496/4885GAA 4875/4885POLB 4463/4885
US-20150376178-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E SMN1; SMN2 2496/4885GAA 4875/4885POLB 4463/4885
US-20090209563-A1 Pyridinoylpiperidines as 5-HT1F agonists HTR1F, HTR1A, HTR1E SMN1; SMN2 2496/4885GAA 4875/4885POLB 4463/4885

“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.