SCHEMBL14217020

SCHEMBL14217020

O=C(C1CC1)N1CCC(N2CCN(CC3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(Cc4ccccc4)C3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.58
TACR3 P29371 1/20 0.47
CHRM4 P08173 1/20 0.45
ACACB O00763 4/20 0.40
ACACA Q13085 4/20 0.40
USP2 O75604 2/20 0.40
RHOA P61586 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
SCHEMBL14217427 0.89 TACR1 (0.57) TACR1TACR3
SCHEMBL14217214 0.88 TACR1 (0.61) TACR1TACR3USP2
SCHEMBL14217465 0.88 TACR1 (0.56) TACR1TACR3
SCHEMBL14217430 0.86 TACR1 (0.59) TACR1TACR3USP2
SCHEMBL3080528 0.86 TACR1 (0.62) TACR1TACR3CHRM4USP2RHOA
SCHEMBL14422750 0.86 TACR1 (0.56) TACR1TACR3CHRM4USP2
SCHEMBL14217219 0.85 TACR1 (0.52) TACR1TACR3
SCHEMBL5214038 0.85 TACR1 (0.64) TACR1TACR3CHRM4USP2RHOA
SCHEMBL4818313 0.85 TACR1 (0.64) TACR1TACR3CHRM4USP2RHOA
SCHEMBL4818317 0.85 TACR1 (0.64) TACR1TACR3CHRM4USP2RHOA

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 214/4885CHRM4 757/4885

“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.