SCHEMBL10246575

SCHEMBL10246575

CC(C)N1C(=O)C(c2ccccc2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.59
RAMP1 O60894 1/20 0.57
CALCA P06881 1/20 0.57
ADM2 Q7Z4H4 2/20 0.54
CALCB P10092 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
SCHEMBL10246196 0.89 CALCRL (0.58) CALCRLRAMP1CALCAADM2
SCHEMBL13599396 0.84 CALCRL (0.64) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL13599179 0.84 CALCRL (0.64) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL13599154 0.84 CALCRL (0.64) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL14389781 0.82 CALCRL (0.62) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL13599156 0.82 CALCRL (0.62) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL13993494 0.82 CALCRL (0.62) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL13599185 0.82 CALCRL (0.62) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL10246280 0.81 CALCRL (0.63) CALCRLRAMP1CALCAADM2
SCHEMBL13599075 0.81 CALCRL (0.60) CALCRLRAMP1CALCAADM2

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 6 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-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
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 51/4885CALCA 15/4885

“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.