SCHEMBL69952

SCHEMBL69952

O=C(NCC(=O)N1CCC(Oc2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.42
LIPE Q05469 1/20 0.39
EPHX2 P34913 2/20 0.39
CCR2 P41597 3/20 0.38
SCN9A Q15858 3/20 0.37
P2RY12 Q9H244 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 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
SCHEMBL70272 0.92 SCN9A (0.39) SCDCCR2SCN9AP2RY12
SCHEMBL68443 0.90 EPHX2 (0.49) SCDLIPEEPHX2CCR2
SCHEMBL29382083 0.90 EPHX2 (0.49) SCDLIPEEPHX2CCR2
SCHEMBL29381950 0.89 SCD (0.42) SCDLIPEEPHX2SCN9AEGLN1
SCHEMBL70242 0.89 SCD (0.42) SCDLIPEEPHX2SCN9AEGLN1
SCHEMBL92480 0.88 SCD (0.40) SCDP2RY12BCL9CTNNB1
SCHEMBL68375 0.87 TP53 (0.47) SCDEPHX2CCR2
SCHEMBL29385015 0.87 TP53 (0.47) SCDEPHX2CCR2
SCHEMBL69386 0.87 SCD (0.41) SCDP2RY12
SCHEMBL70003 0.87 EPHX2 (0.44) SCDLIPEEPHX2CCR2

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-12433880-B2 Methods for the treatment of neurological disorders JANSSEN PHARMACEUTICA NV (BE) 2025-10-07 US disclosed
EP-3566055-B1 SCD INHIBITOR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2025-03-12 EP disclosed
US-20220040167-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2022-02-10 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 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 (3 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-12433880-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC SCD 1194/4885LIPE 3625/4885EPHX2 1185/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885LIPE 277/4885EPHX2 1023/4885
US-20220040167-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC SCD 1194/4885LIPE 3625/4885EPHX2 1185/4885

“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.