SCHEMBL10246271

SCHEMBL10246271

O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCc1ccccc12)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.58
RAMP1 O60894 2/20 0.57
CALCA P06881 1/20 0.54
ADM2 Q7Z4H4 1/20 0.50

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
SCHEMBL10246535 0.96 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL10247743 0.95 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL10246276 0.94 CALCRL (0.58) CALCRLRAMP1CALCA
SCHEMBL10246430 0.93 CALCRL (0.58) CALCRLRAMP1CALCA
SCHEMBL2066769 0.92 CALCRL (0.58) CALCRLRAMP1CALCA
SCHEMBL2066765 0.92 CALCRL (0.58) CALCRLRAMP1CALCA
SCHEMBL2065793 0.91 CALCRL (0.48) CALCRLRAMP1CALCA
SCHEMBL2065794 0.91 CALCRL (0.48) CALCRLRAMP1CALCA
SCHEMBL10247750 0.90 CALCRL (0.58) CALCRLRAMP1CALCA
SCHEMBL10246250 0.90 CALCRL (0.60) CALCRLRAMP1CALCA

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.