SCHEMBL3129374

SCHEMBL3129374

O=C(CCN1CCN(c2ccc(F)cc2)CC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.62
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
MTOR P42345 1/20 0.62
EBP Q15125 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
KDM4E B2RXH2 1/20 0.61
PMP22 Q01453 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
OPRL1 P41146 6/20 0.57
OPRM1 P35372 5/20 0.54
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
OPRD1 P41143 1/20 0.50

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
SCHEMBL3124252 0.92 OPRM1 (0.61) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL3127162 0.92 OPRM1 (0.53) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL3133375 0.89 TSHR (0.54) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL3138573 0.82 MEN1 (0.53) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL3140085 0.82 SMN1; SMN2 (0.55) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL3127147 0.81 MAPT (0.54) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL4814942 0.81 OPRM1 (0.50) ABCB11TP53CYP3A4CYP2D6PKM
Hydrochloric Acid SCHEMBL4853192 0.81 KDM4E (0.56) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL3133328 0.80 ALDH1A1 (0.57) TSHRKDM4ESMN1; SMN2OPRL1OPRM1
SCHEMBL3135594 0.79 OPRL1 (0.53) ABCB11TP53CYP3A4CYP2D6PKM

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 ABCB11 268/4885TP53 1864/4885CYP3A4 1484/4885

“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.