SCHEMBL4810067

SCHEMBL4810067

O=C(CN1CCN(c2cn[nH]c(=O)c2)CC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.46
OPRL1 P41146 7/20 0.46
CHRM4 P08173 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
TRPV5 Q9NQA5 1/20 0.44
OPRK1 P41145 1/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
OPRD1 P41143 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 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
SCHEMBL3127147 0.86 MAPT (0.54) OPRM1OPRL1CHRM4OPRK1ABCB11
Hydrochloric Acid SCHEMBL4853192 0.85 KDM4E (0.56) OPRM1OPRL1CHRM4OPRK1ABCB11
SCHEMBL3135594 0.83 OPRL1 (0.53) OPRM1OPRL1CHRM4OPRK1ABCB11
SCHEMBL3140085 0.83 SMN1; SMN2 (0.55) OPRM1OPRL1CHRM4OPRK1ABCB11
SCHEMBL3135283 0.83 MEN1 (0.60) OPRM1OPRL1CHRM4OPRK1TSHR
SCHEMBL3138573 0.83 MEN1 (0.53) OPRM1OPRL1CHRM4OPRK1ABCB11
SCHEMBL3131752 0.81 OPRM1 (0.48) OPRM1OPRL1CHRM4OPRK1ABCB11
SCHEMBL3132053 0.80 TSHR (0.55) OPRM1OPRL1TSHRSMN1; SMN2KDM4E
SCHEMBL3133328 0.80 ALDH1A1 (0.57) OPRM1OPRL1TSHRSMN1; SMN2KDM4E
SCHEMBL4807083 0.80 KDM4E (0.49) OPRM1OPRL1CHRM4OPRK1ABCB11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US claimed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 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 (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-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRM1 52/4885OPRL1 24/4885CHRM4 135/4885

“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.