SCHEMBL10246447

SCHEMBL10246447

CC1(c2ccccc2)C(=O)N(CC(F)(F)F)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.61
RAMP1 O60894 3/20 0.61
ADM2 Q7Z4H4 2/20 0.54
CALCA P06881 1/20 0.53
CALCB P10092 1/20 0.52
RAMP3 O60896 1/20 0.52
CALCR P30988 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
SCHEMBL10246552 0.93 CALCRL (0.69) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL10246197 0.90 CALCRL (0.59) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL10246458 0.88 CALCRL (0.60) CALCRLRAMP1ADM2CALCA
SCHEMBL10246280 0.87 CALCRL (0.63) CALCRLRAMP1ADM2CALCA
SCHEMBL10246450 0.87 CALCRL (0.56) CALCRLRAMP1ADM2CALCA
SCHEMBL2067912 0.85 CALCRL (0.72) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL10247774 0.85 CALCRL (0.63) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL10246535 0.85 CALCRL (0.59) CALCRLRAMP1CALCARAMP3CALCR
SCHEMBL10246271 0.85 CALCRL (0.58) CALCRLRAMP1ADM2CALCA
SCHEMBL10247743 0.84 CALCRL (0.60) CALCRLRAMP1CALCARAMP3CALCR

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
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
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
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CALCRL 3/4885RAMP1 51/4885ADM2 87/4885

“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.