SCHEMBL70086

SCHEMBL70086

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

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.61
USP30 Q70CQ3 1/20 0.54
GRM5 P41594 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL21338827 0.84 USP30 (0.58) NOTUMUSP30GRM5CA12CA1
SCHEMBL20594850 0.81 NOTUM (0.56) NOTUMUSP30GRM5CA12CA1
SCHEMBL30309903 0.81 NOTUM (0.56) NOTUMUSP30GRM5CA12CA1
SCHEMBL27983542 0.80 ESRRA (0.70) NOTUMUSP30GRM5CA12CA1
SCHEMBL28797039 0.80 HSD17B1 (0.56)
SCHEMBL616473 0.80 NOTUM (0.60) NOTUMUSP30
SCHEMBL24977670 0.79 GRM5 (0.53) NOTUMGRM5
SCHEMBL69876 0.78 ESRRA (0.62) NOTUMCA1CA2CA9
SCHEMBL69165 0.78 ESRRA (0.64) CA12CA1CA2CA9
SCHEMBL70460 0.78 NOTUM (0.58) NOTUMCA2CA9

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 4 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 disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP 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 (1 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 NOTUM 86/4885USP30 1476/4885GRM5 1427/4885

“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.