SCHEMBL70460

SCHEMBL70460

O=C(O)c1cn(-c2cccc(F)c2)nn1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
ESRRA P11474 5/20 0.48
RXRA P19793 4/20 0.48
GRIN1 Q05586 4/20 0.48
GRIN2B Q13224 4/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KEAP1 Q14145 1/20 0.46
STS P08842 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL28033861 0.87 NOTUM (0.57) NOTUMESRRARXRAGRIN1GRIN2B
SCHEMBL30399461 0.87 NOTUM (0.57) NOTUMESRRARXRAGRIN1GRIN2B
SCHEMBL71817 0.84 NOTUM (0.43) NOTUMESRRASTSNPC1RAB9A
SCHEMBL616473 0.83 NOTUM (0.60) NOTUMESRRAMAOAMAOBKEAP1
SCHEMBL28797039 0.83 HSD17B1 (0.56) ESRRAMAOAMAOB
SCHEMBL69876 0.82 ESRRA (0.62) NOTUMESRRAMAOANPC1CA2
SCHEMBL69165 0.82 ESRRA (0.64) ESRRARXRAGRIN1GRIN2BMAOA
SCHEMBL2330243 0.81 CA1 (0.57) NOTUMESRRAMAOAMAOBNPC1
SCHEMBL28801446 0.80 ESRRA (0.60) NOTUMESRRAMAOANPC1CA2
SCHEMBL27911606 0.80 CA1 (0.56) NOTUMESRRAMAOAMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
EP-3566055-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2019-11-13 EP disclosed
WO-2018129403-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS (US) 2018-07-12 WO disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 US disclosed
EP-2895478-B1 TRIAZOLE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
US-9416127-B2 Triazole carboxamides and uses thereof HOFFMANN-LA ROCHE INC. (US) 2016-08-16 US disclosed
EP-2895478-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
WO-2014041106-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 WO disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 NOTUM 99/4885ESRRA 2415/4885RXRA 1377/4885
US-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC NOTUM 1306/4885ESRRA 3232/4885RXRA 2257/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 NOTUM 86/4885ESRRA 2411/4885RXRA 1461/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC NOTUM 1306/4885ESRRA 3232/4885RXRA 2257/4885

“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.