SCHEMBL4849540

SCHEMBL4849540

CN(CC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.50
CHRM4 P08173 1/20 0.47
TACR1 P25103 3/20 0.47
OPRM1 P35372 3/20 0.47
KCNH2 Q12809 2/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
DRD4 P21917 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
CACNA1G O43497 1/20 0.44
TRPV4 Q9HBA0 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
SCHEMBL2808174 0.89 OPRL1 (0.54) OPRL1CHRM4TACR1OPRM1KCNH2
SCHEMBL4848475 0.84 SLC6A4 (0.47) OPRL1CHRM4TACR1OPRM1SLC6A4
SCHEMBL4855793 0.84 OPRL1 (0.53) OPRL1CHRM4TACR1OPRM1KCNH2
SCHEMBL4849548 0.82 OPRL1 (0.51) OPRL1CHRM4TACR1OPRM1SLC6A4
SCHEMBL4848259 0.81 SLC6A4 (0.52) OPRL1TACR1OPRM1SLC6A4SLC6A2
SCHEMBL4852940 0.81 TACR1 (0.46) TACR1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL2834684 0.79 OPRL1 (0.54) OPRL1CHRM4TACR1OPRM1SLC6A4
SCHEMBL17606613 0.79 OPRL1 (0.48) OPRL1OPRM1SLC6A4ALDH1A1USP2
SCHEMBL699951 0.79 OPRL1 (0.63) OPRL1CHRM4TACR1OPRM1SLC6A4
SCHEMBL2808157 0.77 OPRL1 (0.56) OPRL1CHRM4OPRM1KCNH2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 OPRL1 2532/4885CHRM4 2925/4885TACR1 1214/4885

“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.