SCHEMBL733636

SCHEMBL733636

O=C1CCN(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(Cc3ccccc3)C2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.69
TACR3 P29371 1/20 0.55
KCNH2 Q12809 1/20 0.45
USP2 O75604 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL7610372 0.89 TACR1 (0.69) TACR1TACR3
SCHEMBL1401249 0.89 TACR1 (0.69) TACR1TACR3
SCHEMBL1400972 0.89 TACR1 (0.69) TACR1TACR3
SCHEMBL1400971 0.89 TACR1 (0.69) TACR1TACR3
SCHEMBL4819222 0.88 TACR1 (0.68) TACR1TACR3CCR2
SCHEMBL1400874 0.88 TACR1 (0.68) TACR1TACR3USP2
SCHEMBL13980761 0.88 TACR1 (0.69) TACR1TACR3
SCHEMBL4819217 0.88 TACR1 (0.68) TACR1TACR3CCR2
SCHEMBL1400878 0.88 TACR1 (0.68) TACR1TACR3USP2
SCHEMBL14017628 0.88 TACR1 (0.68) TACR1TACR3CCR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138334-B2 Substituted oxa-diaza-spiro-[5.5]-undecanone derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8138334-B2 Substituted oxa-diaza-spiro-[5.5]-undecanone derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-20100292228-A1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-18 US disclosed
US-20100292228-A1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-18 US disclosed
EP-1874783-B1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-05-26 EP 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-20100292228-A1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS NPSR1, OPRK1, PROKR2 TACR1 79/4885TACR3 189/4885KCNH2 64/4885

“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.