SCHEMBL69165

SCHEMBL69165

Cc1cccc(-n2cc(C(=O)O)nn2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 4/20 0.64
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.51
KDM6B O15054 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
DDT P30046 1/20 0.51
RPA1 P27694 1/20 0.50
RXRA P19793 3/20 0.49
GRIN1 Q05586 3/20 0.49
GRIN2B Q13224 3/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL616473 0.83 NOTUM (0.60) ESRRAMEN1KMT2AKEAP1NFE2L2
SCHEMBL28797039 0.83 HSD17B1 (0.56) ESRRAMAOAMAOB
SCHEMBL15578485 0.82 STIM1 (0.54) ESRRAKEAP1NFE2L2CA2CA9
SCHEMBL69876 0.82 ESRRA (0.62) ESRRACA1CA2CA9MAOA
SCHEMBL70460 0.82 NOTUM (0.58) ESRRARXRAGRIN1GRIN2BKEAP1
SCHEMBL28039291 0.81 ESRRA (0.49) ESRRAKMT2ACA1CA2CA9
SCHEMBL3477570 0.81 CA1 (0.57) ESRRAKMT2ACA12CA1CA2
SCHEMBL28801446 0.80 ESRRA (0.60) ESRRACA1CA2CA9MAOA
SCHEMBL30402879 0.80 ESRRA (0.56) ESRRAKDM4EKDM6BKDM5CKDM4C
SCHEMBL15578542 0.79 NOTUM (0.64) ESRRAKEAP1NFE2L2

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-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
US-20150191458-A1 TRIAZOLE CARBOXAMIDES AND USES THEREOF HOFFMANN-LA ROCHE INC. (US) 2015-07-09 US 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
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 (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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ESRRA 2415/4885MEN1 4883/4885KMT2A 1389/4885
US-20150191458-A1 TRIAZOLE CARBOXAMIDES AND USES THEREOF TAAR1, HCRTR1, TAAR5 ESRRA 438/4885MEN1 1669/4885KMT2A 1664/4885
US-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC ESRRA 3232/4885MEN1 2780/4885KMT2A 2541/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ESRRA 2411/4885MEN1 4884/4885KMT2A 1352/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC ESRRA 3232/4885MEN1 2780/4885KMT2A 2541/4885

“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.