SCHEMBL13987045

SCHEMBL13987045

O=C1NCCC2(CCN(C(=O)N[C@@H]3Cc4ccc5[nH]ncc5c4CN(Cc4ccc(C(F)(F)F)cc4)C3=O)CC2)N1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 14/20 0.57
▸ MAPK10 P53779 1/20 0.33
▸ TRPV1 Q8NER1 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32

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
SCHEMBL13791578 0.85 CALCRL (0.60) CALCRLMAPK10
SCHEMBL13792188 0.80 CALCRL (0.86) CALCRL
SCHEMBL3891344 0.78 CALCRL (0.70) CALCRLTRPV1
SCHEMBL5097854 0.78 CALCRL (0.70) CALCRLTRPV1
SCHEMBL2213111 0.76 CALCRL (0.55) CALCRLTRPV1
SCHEMBL1894819 0.74 CALCRL (0.43) CALCRLMAPK1ROCK1
SCHEMBL1894821 0.74 CALCRL (0.43) CALCRLMAPK1ROCK1
SCHEMBL12513028 0.73 CALCRL (0.46) CALCRLTRPV1ROCK1
SCHEMBL14146297 0.73 CALCRL (0.72) CALCRL
SCHEMBL13792198 0.72 CALCRL (1.00) CALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 — — US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 — — 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-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL CALCRL 3/4885MAPK10 1879/4885TRPV1 17/4885

“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.

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