SCHEMBL2799705

SCHEMBL2799705

Cc1ccccc1[C@H]1[C@@H]2CNC(C)[C@H]2CCN1C(=O)N[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.40
TRPV1 Q8NER1 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.37
ROCK2 O75116 1/20 0.35
PRKG1 Q13976 1/20 0.35

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
SCHEMBL2799702 0.74 TRPV1 (0.39) TACR1TRPV1
SCHEMBL17233136 0.73 TACR1 (0.38) TACR1TRPV1TRPM8
SCHEMBL17233125 0.73 TACR1 (0.38) TACR1TRPV1TRPM8
SCHEMBL13201191 0.71 TACR1 (0.54) TACR1
SCHEMBL2800852 0.71 TACR1 (0.54) TACR1
SCHEMBL13200848 0.71 TACR1 (0.54) TACR1
SCHEMBL2800437 0.71 TACR1 (0.54) TACR1
SCHEMBL2802542 0.67 TACR1 (0.49) TACR1
SCHEMBL13200614 0.67 TACR1 (0.51) TACR1
SCHEMBL2801048 0.67 TACR1 (0.51) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS BAO JIANMING 2010-08-05 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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, HTR1D TACR1 1/4885TRPV1 219/4885TRPM8 521/4885

“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.