SCHEMBL976576

SCHEMBL976576

O=C1Nc2ncccc2[C@]12Cc1ccc(Br)cc1C2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCA P06881 3/20 0.50
CALCRL Q16602 13/20 0.46
ADM2 Q7Z4H4 4/20 0.46
RAMP1 O60894 5/20 0.45
CALCB P10092 3/20 0.45

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
SCHEMBL2263515 1.00 CALCA (0.50) CALCACALCRLADM2RAMP1CALCB
SCHEMBL10246001 0.86 CALCRL (0.51) CALCACALCRLADM2RAMP1CALCB
SCHEMBL979404 0.85 CALCRL (0.50) CALCACALCRLRAMP1
SCHEMBL31126001 0.85 CALCRL (0.50) CALCACALCRLRAMP1
SCHEMBL29550041 0.85 CALCRL (0.50) CALCACALCRLRAMP1
SCHEMBL24220794 0.84 CALCA (0.50) CALCACALCRLADM2RAMP1CALCB
SCHEMBL549390 0.84 CALCA (0.50) CALCACALCRLADM2RAMP1CALCB
SCHEMBL1700141 0.84 CALCA (0.50) CALCACALCRLADM2RAMP1CALCB
SCHEMBL13671264 0.84 CALCA (0.50) CALCACALCRLADM2RAMP1CALCB
SCHEMBL260524 0.84 CALCA (0.50) CALCACALCRLADM2RAMP1CALCB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
US-8552023-B2 Non-amidic linkers with branched termini as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8552023-B2 Non-amidic linkers with branched termini as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8552023-B2 Non-amidic linkers with branched termini as CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
EP-2326176-B1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 EP disclosed
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20110306626-A1 IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS Merck, Sharp & Dohme Corp. 2011-12-15 US disclosed
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2011014383-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-02-03 WO disclosed
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
WO-2010021864-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-02-25 WO 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 (4 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-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, CCKBR CALCA 14/4885CALCRL 2/4885ADM2 267/4885
US-20110306626-A1 IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB2, CALCR CALCA 15/4885CALCRL 1/4885ADM2 156/4885
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS CALCRL, CALCR, GRPR CALCA 12/4885CALCRL 1/4885ADM2 174/4885
US-20110190329-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS CALCRL, GRPR, CCKBR CALCA 6/4885CALCRL 1/4885ADM2 13/4885

“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.