SCHEMBL979404

SCHEMBL979404

O=C1Nc2ncccc2[C@@]12Cc1cc(Br)cnc1C2

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.50
RAMP1 O60894 11/20 0.49
CALCA P06881 1/20 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
SCHEMBL31126001 1.00 CALCRL (0.50) CALCRLRAMP1CALCA
SCHEMBL29550041 1.00 CALCRL (0.50) CALCRLRAMP1CALCA
SCHEMBL976476 0.85 CALCRL (0.50) CALCRLRAMP1CALCA
SCHEMBL838209 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL22110811 0.85 CALCRL (0.51) CALCRLRAMP1
SCHEMBL31039442 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL978566 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL977185 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL2263515 0.85 CALCA (0.50) CALCRLRAMP1CALCA
SCHEMBL976576 0.85 CALCA (0.50) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653049-A2 CGRP ANTAGONIST COMPOUNDS Nxera Pharma UK Limited (GB) 2025-11-26 EP disclosed
EP-3983416-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 EP disclosed
EP-3983417-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 EP disclosed
US-12344621-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-07-01 US disclosed
US-20250136616-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2025-05-01 US disclosed
US-12227521-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-02-18 US disclosed
US-20220306651-A1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-09-29 US disclosed
US-20220251110-A1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-08-11 US disclosed
EP-3983417-A1 CGRP ANTAGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2022-04-20 EP disclosed
EP-3983416-A1 CGRP ANTAGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2022-04-20 EP 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-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-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 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-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 (7 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-20220251110-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, OPRL1 CALCRL 1/4885RAMP1 49/4885CALCA 4/4885
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, CCKBR CALCRL 2/4885RAMP1 169/4885CALCA 14/4885
US-20250136616-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, OPRL1 CALCRL 1/4885RAMP1 49/4885CALCA 4/4885
US-20220306651-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 67/4885CALCA 3/4885
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS CALCRL, CALCR, GRPR CALCRL 1/4885RAMP1 54/4885CALCA 12/4885
US-12227521-B2 CGRP antagonist compounds CALCRL, CALCR, OPRL1 CALCRL 1/4885RAMP1 49/4885CALCA 4/4885
US-12344621-B2 CGRP antagonist compounds CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 63/4885CALCA 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.