SCHEMBL14217426

SCHEMBL14217426

CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)CC3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(Cc4ccccc4)C3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.54
SFRP1 Q8N474 1/20 0.43
TACR3 P29371 1/20 0.43
CETP P11597 4/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 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
SCHEMBL12809094 0.91 TACR1 (0.60) TACR1TACR3CETPJAK2JAK1
SCHEMBL13756722 0.88 TACR1 (0.57) TACR1TACR3CETPJAK2JAK1
SCHEMBL14217465 0.86 TACR1 (0.56) TACR1TACR3CETPJAK2JAK1
SCHEMBL14217466 0.84 TACR1 (0.57) TACR1TACR3
SCHEMBL13871846 0.84 TACR1 (0.58) TACR1TACR3CETPJAK2JAK1
SCHEMBL12809148 0.82 TACR1 (0.53) TACR1SFRP1TACR3CETP
SCHEMBL14217216 0.81 JAK2 (0.44) TACR1JAK2JAK1ABHD6DAGLA
SCHEMBL12809200 0.81 TACR1 (0.47) TACR1
SCHEMBL3082292 0.81 TACR1 (0.63) TACR1TACR3
SCHEMBL12809204 0.81 TACR1 (0.63) TACR1TACR3

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 36/4885SFRP1 4394/4885TACR3 214/4885

“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.