SCHEMBL2802559

SCHEMBL2802559

Cc1cc(F)ccc1[C@H]1[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.58
SIGMAR1 Q99720 2/20 0.54
PTAFR P25105 1/20 0.54
CYP3A4 P08684 1/20 0.52

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
SCHEMBL13200940 1.00 TACR1 (0.58) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL2802424 0.92 TACR1 (0.47) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL13200935 0.92 TACR1 (0.47) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL13201200 0.89 TACR1 (0.59) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL2802415 0.89 TACR1 (0.59) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL13200543 0.89 TACR1 (0.56) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL13200944 0.87 TACR1 (0.56) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL13200969 0.87 TACR1 (0.54) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL13196716 0.85 TACR1 (0.65) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL13200549 0.85 TACR1 (0.65) TACR1SIGMAR1PTAFRCYP3A4

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 1/4885SIGMAR1 698/4885PTAFR 1030/4885

“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.