SCHEMBL14217474

SCHEMBL14217474

O=C(O)C=C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.61
TACR3 P29371 1/20 0.47
USP2 O75604 4/20 0.44
MITF O75030 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 2/20 0.41
MTNR1B P49286 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
OPRD1 P41143 1/20 0.39

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
SCHEMBL14422714 0.88 TACR1 (0.55) TACR1TACR3USP2ABCB1MTNR1B
SCHEMBL13818183 0.87 TACR1 (0.58) TACR1TACR3USP2MITFRHOC
SCHEMBL13980675 0.87 TACR1 (0.58) TACR1TACR3USP2MITFRHOC
SCHEMBL730772 0.85 TACR1 (0.66) TACR1TACR3USP2MITFRHOC
SCHEMBL4983555 0.78 TACR1 (0.62) TACR1TACR3USP2MITFRHOC
SCHEMBL22901699 0.78 TACR1 (0.71) TACR1TACR3RHOCRHOA
SCHEMBL7684256 0.78 TACR1 (0.55) TACR1TACR3USP2RHOCRHOA
SCHEMBL9113036 0.77 TACR1 (0.78) TACR1TACR3USP2RHOCRHOA
SCHEMBL9112230 0.77 TACR1 (0.78) TACR1TACR3USP2RHOCRHOA
SCHEMBL7823087 0.77 TACR1 (0.66) TACR1TACR3USP2MITF

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
EP-1737838-B1 SUBSTITUTED 4-ALKYL- AND 4-ALKANOYL-PIPERIDINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-05-21 EP disclosed
US-20070213346-A1 Substituted 4-Alkyl-And 4-Alkanoyl-Piperidine Derivatives And Their Use As Neurokinin Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-13 US disclosed
US-20070213346-A1 Substituted 4-Alkyl-And 4-Alkanoyl-Piperidine Derivatives And Their Use As Neurokinin Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-13 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-20070213346-A1 Substituted 4-Alkyl-And 4-Alkanoyl-Piperidine Derivatives And Their Use As Neurokinin Antagonists NPSR1, VIP, OPRK1 TACR1 36/4885TACR3 214/4885USP2 4563/4885

“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.