SCHEMBL3136572

SCHEMBL3136572

CN(C)CC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.66
SLC6A3 Q01959 4/20 0.66
SLC6A2 P23975 3/20 0.66
TACR1 P25103 5/20 0.48
OPRM1 P35372 5/20 0.48
OPRL1 P41146 3/20 0.48
CCR2 P41597 2/20 0.46
EPHX2 P34913 1/20 0.43
OPRK1 P41145 2/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL3129402 0.88 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL3594500 0.85 OPRM1 (0.48) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL3132000 0.84 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL3135476 0.82 SLC6A2 (0.53) SLC6A4SLC6A3SLC6A2TACR1
SCHEMBL4813147 0.82 TACR1 (0.53) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL3129737 0.81 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL3519571 0.80 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL2925749 0.79 OPRM1 (0.63) OPRM1OPRL1OPRK1OPRD1
SCHEMBL700901 0.78 OPRM1 (0.49) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL2931546 0.78 OPRM1 (0.47) SLC6A4OPRM1OPRL1CCR2OPRK1

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
EP-1699778-B1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-07-14 EP disclosed
US-7423039-B2 (4-phenylpiperazin-1-yl)acylpiperidine derivatives, preparation thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
US-20070021609-A1 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-01-25 US disclosed
EP-1699778-A1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-09-13 EP disclosed
WO-2005054227-A1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-06-16 WO 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-20070021609-A1 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS AGPAT5, DNPEP, AGPAT2 SLC6A4 975/4885SLC6A3 1222/4885SLC6A2 605/4885

“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.