SCHEMBL10071224

SCHEMBL10071224

CN1C[C@@](C)(c2cc(F)cc(F)c2)N(Cc2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C1(C)C

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.72
RAMP1 O60894 6/20 0.55
RAMP3 O60896 1/20 0.55
CALCR P30988 1/20 0.55

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
SCHEMBL6365763 0.91 CALCRL (0.86) CALCRLRAMP1RAMP3CALCR
SCHEMBL13670871 0.91 CALCRL (0.72) CALCRLRAMP1RAMP3CALCR
SCHEMBL10071221 0.90 CALCRL (0.63) CALCRLRAMP1RAMP3CALCR
SCHEMBL12028269 0.89 CALCRL (0.84) CALCRL
SCHEMBL6342997 0.89 CALCRL (0.84) CALCRL
SCHEMBL6341518 0.89 CALCRL (0.84) CALCRL
SCHEMBL6368976 0.89 CALCRL (0.64) CALCRLRAMP1RAMP3CALCR
SCHEMBL6342385 0.87 CALCRL (0.85) CALCRLRAMP1RAMP3CALCR
SCHEMBL6342348 0.87 CALCRL (0.85) CALCRLRAMP1RAMP3CALCR
SCHEMBL6345174 0.86 CALCRL (0.85) CALCRLRAMP1RAMP3CALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
WO-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO 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-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS CALCRL, CALCR, GRPR CALCRL 1/4885RAMP1 54/4885RAMP3 23/4885

“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.