SCHEMBL4848259

SCHEMBL4848259

CN(CC1(c2cccc(C(F)(F)F)c2)CCNCC1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.52
SLC6A3 Q01959 2/20 0.52
SLC6A2 P23975 1/20 0.52
TACR1 P25103 8/20 0.46
CCR2 P41597 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
OPRM1 P35372 3/20 0.41
OPRL1 P41146 3/20 0.41
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
KCNN4 O15554 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
SCHEMBL4848475 0.82 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2TACR1TRPV4
SCHEMBL3133325 0.81 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL4849540 0.81 OPRL1 (0.50) SLC6A4SLC6A3SLC6A2TACR1TRPV4
SCHEMBL4853618 0.81 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2TACR1CCR2
Hydrochloric Acid SCHEMBL4851707 0.81 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2TACR1OPRM1
SCHEMBL4848253 0.79 CCR2 (0.50) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL27607905 0.77 TACR1 (0.50) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL5628554 0.77 TACR1 (0.56) SLC6A4SLC6A3SLC6A2TACR1CCR2
SCHEMBL4852940 0.76 TACR1 (0.46) SLC6A4SLC6A3SLC6A2TACR1
SCHEMBL6266690 0.74 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2TACR1CCR2

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.