SCHEMBL70768

SCHEMBL70768

O=C(NCC(=O)N1CCC(Oc2cncc(Cl)c2)CC1)c1cc(-c2cccc(F)c2)on1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.46
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SCD O00767 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MLLT1 Q03111 1/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL29384568 1.00 SCD5 (0.46) SCD5KCNH2MCHR1TP53SMN1; SMN2
SCHEMBL69210 0.91 TP53 (0.48) SCD5KCNH2MCHR1TP53SMN1; SMN2
SCHEMBL29385628 0.91 TP53 (0.48) SCD5KCNH2MCHR1TP53SMN1; SMN2
SCHEMBL70358 0.85 DYRK1A (0.39) KCNH2SCD
SCHEMBL29384221 0.85 DYRK1A (0.39) KCNH2SCD
SCHEMBL67950 0.84 SCD5 (0.48) SCD5KCNH2MCHR1TP53SMN1; SMN2
SCHEMBL29384766 0.84 SCD5 (0.48) SCD5KCNH2MCHR1TP53SMN1; SMN2
SCHEMBL29384551 0.77 EPHX2 (0.42) SCDMAPT
SCHEMBL70203 0.77 EPHX2 (0.42) SCDMAPT
SCHEMBL69306 0.77 SCD (0.41) SCD5KCNH2SCD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US 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-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
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 SCD5 2/4885KCNH2 3781/4885MCHR1 4526/4885

“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.