SCHEMBL10282930

SCHEMBL10282930

CNC(=O)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(C)(C=O)c1cc(F)cc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 14/20 0.57
CALCB P10092 13/20 0.56
CALCRL Q16602 6/20 0.55
RAMP1 O60894 2/20 0.53
CALCA P06881 1/20 0.53

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
SCHEMBL10282931 0.92 ADM2 (0.56) ADM2CALCBCALCRLRAMP1CALCA
SCHEMBL10282929 0.92 ADM2 (0.55) ADM2CALCBCALCRLRAMP1CALCA
SCHEMBL10282890 0.91 ADM2 (0.53) ADM2CALCBCALCRLRAMP1CALCA
SCHEMBL14069418 0.91 CALCB (0.54) ADM2CALCBCALCRLRAMP1CALCA
SCHEMBL10282889 0.90 ADM2 (0.53) ADM2CALCBCALCRLRAMP1CALCA
SCHEMBL10282928 0.84 ADM2 (0.59) ADM2CALCB
SCHEMBL10282927 0.77 ADM2 (0.57) ADM2CALCB
SCHEMBL13053534 0.77 ADM2 (0.69) ADM2CALCB
SCHEMBL13272665 0.77 ADM2 (0.58) ADM2CALCBCALCRL
SCHEMBL13053542 0.76 ADM2 (0.72) ADM2CALCB

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-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL ADM2 87/4885CALCB 10/4885CALCRL 3/4885

“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.