SCHEMBL4849537

SCHEMBL4849537

CC(C)(C)C(CC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.50
CHRM4 P08173 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
DRD4 P21917 1/20 0.46
USP2 O75604 1/20 0.45
FAAH O00519 1/20 0.45
OPRM1 P35372 4/20 0.44
UBE2M P61081 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.44
TACR1 P25103 2/20 0.44
SLC6A4 P31645 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
OPRD1 P41143 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
SCHEMBL4848473 0.85 CHRM4 (0.42) OPRL1CHRM4OPRM1TACR1SLC6A4
SCHEMBL4855783 0.83 OPRL1 (0.52) OPRL1CHRM4SIGMAR1DRD4USP2
SCHEMBL2808153 0.81 CHRM4 (0.57) OPRL1CHRM4SIGMAR1DRD4USP2
SCHEMBL2808179 0.80 CHRM4 (0.58) OPRL1CHRM4SIGMAR1DRD4USP2
SCHEMBL699951 0.79 OPRL1 (0.63) OPRL1CHRM4SIGMAR1DRD4USP2
SCHEMBL4855793 0.78 OPRL1 (0.53) OPRL1CHRM4SIGMAR1DRD4USP2
SCHEMBL2808174 0.78 OPRL1 (0.54) OPRL1CHRM4SIGMAR1DRD4USP2
SCHEMBL5548606 0.78 CYP2D6 (0.48) OPRL1ALDH1A1LMNA
SCHEMBL4849548 0.77 OPRL1 (0.51) OPRL1CHRM4SIGMAR1DRD4USP2
SCHEMBL2834848 0.77 SLC6A4 (0.62) OPRL1CHRM4SIGMAR1DRD4USP2

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 2925/4885SIGMAR1 2080/4885

“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.