SCHEMBL4848418

SCHEMBL4848418

CC(C)(C)N(CC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CCl)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A2 P23975 1/20 0.46
TACR1 P25103 7/20 0.43
CCR2 P41597 1/20 0.42
CHRM4 P08173 1/20 0.41
EPHX2 P34913 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38

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
SCHEMBL3129737 0.88 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL3129402 0.87 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL4848483 0.87 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL4855793 0.84 OPRL1 (0.53) SLC6A4SLC6A3SLC6A2TACR1CHRM4
SCHEMBL4848475 0.83 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2TACR1CHRM4
SCHEMBL4853618 0.81 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL3126382 0.80 OPRM1 (0.49) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL3126378 0.80 CHRM4 (0.48) SLC6A4SLC6A3TACR1CCR2CHRM4
SCHEMBL4812413 0.79 OPRL1 (0.50) SLC6A4SLC6A3SLC6A2TACR1CHRM4
SCHEMBL4816350 0.79 TACR1 (0.48) SLC6A4SLC6A3SLC6A2TACR1CHRM4

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 SLC6A4 975/4885SLC6A3 1222/4885SLC6A2 605/4885

“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.