SCHEMBL3124252

SCHEMBL3124252

O=C(CCN1CCN(c2ccccc2)CC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.61
HTR1A P08908 6/20 0.58
HTR7 P34969 6/20 0.58
OPRL1 P41146 4/20 0.57
OPRD1 P41143 1/20 0.57
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
EBP Q15125 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
KDM4E B2RXH2 1/20 0.53
PMP22 Q01453 1/20 0.53

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
SCHEMBL3129374 0.92 ABCB11 (0.62) OPRM1HTR1AHTR7OPRL1OPRD1
SCHEMBL3127162 0.92 OPRM1 (0.53) OPRM1HTR1AHTR7OPRL1OPRD1
SCHEMBL3133375 0.89 TSHR (0.54) OPRM1HTR1AHTR7OPRL1OPRD1
SCHEMBL3127147 0.85 MAPT (0.54) OPRM1OPRL1ABCB11TP53CYP3A4
Hydrochloric Acid SCHEMBL4853192 0.84 KDM4E (0.56) OPRM1OPRL1ABCB11TP53CYP3A4
SCHEMBL4814942 0.83 OPRM1 (0.50) OPRM1HTR7OPRL1OPRD1ABCB11
SCHEMBL3135283 0.82 MEN1 (0.60) OPRM1HTR1AHTR7OPRL1TSHR
SCHEMBL3140085 0.82 SMN1; SMN2 (0.55) OPRM1HTR1AHTR7OPRL1OPRD1
SCHEMBL3138573 0.82 MEN1 (0.53) OPRM1OPRL1OPRD1ABCB11TP53
SCHEMBL3135594 0.80 OPRL1 (0.53) OPRM1OPRL1OPRD1ABCB11TP53

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 OPRM1 2967/4885HTR1A 2735/4885HTR7 1512/4885

“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.