SCHEMBL4848475

SCHEMBL4848475

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 1/20 0.47
TACR1 P25103 7/20 0.45
TRPV4 Q9HBA0 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
OPRK1 P41145 2/20 0.39
CHRM4 P08173 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
OPRD1 P41143 1/20 0.38
KCNA3 P22001 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) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL3129402 0.87 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL4849540 0.84 OPRL1 (0.50) SLC6A4SLC6A3SLC6A2TACR1TRPV4
SCHEMBL4852940 0.84 TACR1 (0.46) SLC6A4SLC6A3SLC6A2TACR1POLB
SCHEMBL4848418 0.83 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL4848259 0.82 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TACR1TRPV4
SCHEMBL4848483 0.81 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL4812413 0.80 OPRL1 (0.50) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL4816350 0.79 TACR1 (0.48) SLC6A4SLC6A3SLC6A2TACR1OPRL1
SCHEMBL27626942 0.77 MEN1 (0.47) SLC6A4OPRM1OPRL1OPRK1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US 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

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.