SCHEMBL14217465

SCHEMBL14217465

CC(C)(C)OC(=O)N1CCC(N2CCN(CC3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(Cc4ccccc4)C3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.56
TACR3 P29371 1/20 0.44
CETP P11597 3/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
STS P08842 1/20 0.40
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
TGFBR1 P36897 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 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
SCHEMBL13871846 0.89 TACR1 (0.58) TACR1TACR3CETPSTSJAK2
SCHEMBL14217427 0.88 TACR1 (0.57) TACR1TACR3
SCHEMBL14217020 0.88 TACR1 (0.58) TACR1TACR3
SCHEMBL12809094 0.87 TACR1 (0.60) TACR1TACR3CETPSTSJAK2
SCHEMBL14217214 0.87 TACR1 (0.61) TACR1TACR3
SCHEMBL14217426 0.86 TACR1 (0.54) TACR1TACR3CETPJAK2JAK1
SCHEMBL14217216 0.86 JAK2 (0.44) TACR1KDM4EPKMSTSJAK2
SCHEMBL14217430 0.84 TACR1 (0.59) TACR1TACR3
SCHEMBL14422750 0.83 TACR1 (0.56) TACR1TACR3
SCHEMBL13756722 0.83 TACR1 (0.57) TACR1TACR3CETPJAK2JAK1

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 214/4885CETP 3237/4885

“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.