SCHEMBL70693

SCHEMBL70693

CCOC(=O)CC(=O)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.63
CDK2 P24941 1/20 0.63
CDK5 Q00535 1/20 0.63
ACP1 P24666 1/20 0.60
KDR P35968 1/20 0.58
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
USP30 Q70CQ3 2/20 0.55
WNT3A P56704 1/20 0.54
GSTO1 P78417 1/20 0.54
SCD O00767 1/20 0.53
LMNA P02545 1/20 0.51
MKNK1 Q9BUB5 1/20 0.50
CNR1 P21554 1/20 0.50
PARP1 P09874 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL69753 0.83 CCNE1 (0.74) CCNE1CDK2CDK5ACP1KDR
SCHEMBL5835618 0.82 CCNE1 (0.69) CCNE1CDK2CDK5ACP1KDR
SCHEMBL19272762 0.80 GSTO1 (0.60) CCNE1CDK2CDK5ACP1KDR
SCHEMBL29003794 0.78 MAPT (0.55) CCNE1CDK2MAPK1ALDH1A1TSHR
SCHEMBL5835960 0.78 SMN1; SMN2 (0.62) CCNE1CDK2CDK5MAPK1ALDH1A1
SCHEMBL21962875 0.77 CCNE1 (0.66) CCNE1CDK2CDK5ACP1KDR
SCHEMBL5840422 0.77 KDR (0.72) CCNE1CDK2CDK5ACP1KDR
SCHEMBL22897146 0.77 KDR (0.50) CCNE1CDK2CDK5ACP1KDR
SCHEMBL21484795 0.75 CCNE1 (0.67) CCNE1CDK2CDK5ACP1KDR
SCHEMBL222738 0.75 PARP1 (0.82) MAPK1ALDH1A1PARP1NPC1RAB9A

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 5 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
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-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 CCNE1 2705/4885CDK2 908/4885CDK5 380/4885

“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.