SCHEMBL3132000

SCHEMBL3132000

NCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.64
OPRM1 P35372 4/20 0.47
CCR2 P41597 2/20 0.46
EPHX2 P34913 1/20 0.46
TACR1 P25103 2/20 0.45
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
CHRM4 P08173 1/20 0.44
OPRL1 P41146 5/20 0.44
OPRD1 P41143 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3594500 0.89 OPRM1 (0.48) SLC6A4OPRM1CCR2EPHX2TACR1
SCHEMBL3136572 0.84 SLC6A4 (0.66) SLC6A4OPRM1CCR2EPHX2TACR1
SCHEMBL2931546 0.83 OPRM1 (0.47) SLC6A4OPRM1CCR2CHRM4OPRL1
SCHEMBL4813147 0.82 TACR1 (0.53) SLC6A4OPRM1CCR2EPHX2TACR1
SCHEMBL2925749 0.82 OPRM1 (0.63) OPRM1CHRM4OPRL1OPRD1CYP3A4
SCHEMBL3135648 0.81 MAPT (0.53) SLC6A4TACR1GAAMEN1KMT2A
SCHEMBL2701751 0.81 SLC6A4 (0.65) SLC6A4OPRM1TACR1SLC6A3SLC6A2
SCHEMBL23002585 0.81 MAOA (0.61) SLC6A4OPRM1SLC6A3SLC6A2MEN1
SCHEMBL700901 0.81 OPRM1 (0.49) SLC6A4OPRM1CCR2EPHX2TACR1
SCHEMBL5726893 0.81 AKR1C3 (0.54) OPRM1CCR2CHRM4OPRL1OPRD1

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 975/4885OPRM1 2967/4885CCR2 4001/4885

“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.