SCHEMBL69466

SCHEMBL69466

Oc1ccccc1Cn1cc[c]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.46
KCNMA1 Q12791 2/20 0.43
TSHR P16473 3/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSPA5 P11021 1/20 0.41
CYP2C19 P33261 1/20 0.40
CA12 O43570 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 5/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
NPY1R P25929 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL583731 0.74 CYP19A1 (0.48) TSHRCYP2D6KDM4ECYP2C19ALDH1A1
SCHEMBL10917974 0.71 BRD4 (0.56) MPOKCNMA1TSHRCYP2D6HIF1A
SCHEMBL1281769 0.70 CYP19A1 (0.58) MPOKCNMA1TSHRCYP2D6HIF1A
SCHEMBL6813771 0.70 ENPP2 (0.42) KDM4ELMNAMAPTALOX15MAPK1
Water SCHEMBL1982280 0.69 CYP19A1 (0.56) MPOKCNMA1TSHRCYP2D6HIF1A
SCHEMBL3262446 0.67 MPO (0.57) MPOKCNMA1TSHRCYP2D6HIF1A
SCHEMBL8936807 0.67 CYP19A1 (0.58) MPOKCNMA1KDM4ECYP2C19MAPT
SCHEMBL3967782 0.63 MPO (1.00) MPOTSHRCYP2D6HIF1AKDM4E
SCHEMBL8050377 0.63 CYP11B1 (0.65) CYP2D6KDM4EMEN1LMNAMAPT
SCHEMBL20850459 0.62 CA12 (0.67) MPOTSHRCYP2D6HIF1AKDM4E

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 MPO 3019/4885KCNMA1 4382/4885TSHR 4631/4885

“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.