SCHEMBL2800852

SCHEMBL2800852

Cc1ccccc1C1[C@@H]2CNC[C@H]2CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.54
CYP3A4 P08684 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
PTAFR P25105 1/20 0.43

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
SCHEMBL13201191 1.00 TACR1 (0.54) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2800437 1.00 TACR1 (0.54) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13200848 1.00 TACR1 (0.54) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13200544 0.91 TACR1 (0.68) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2797414 0.91 TACR1 (0.68) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13200614 0.87 TACR1 (0.51) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2801048 0.87 TACR1 (0.51) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2802542 0.85 TACR1 (0.49) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2799045 0.85 TACR1 (0.55) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13201186 0.84 TACR1 (0.53) TACR1CYP3A4SIGMAR1PTAFR

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 1/4885CYP3A4 3063/4885SIGMAR1 698/4885

“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.