SCHEMBL12990498

SCHEMBL12990498

O=C1Nc2ncccc2C12Cc1cc3nc(Cc4cccc(Oc5ccccc5)c4)[nH]c3cc1C2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.46
▸ CALCA P06881 10/20 0.44
▸ ADM2 Q7Z4H4 1/20 0.41
▸ GRIN1 Q05586 3/20 0.40
▸ GRIN2B Q13224 3/20 0.40

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
SCHEMBL12990698 0.90 CALCRL (0.52) CALCRLCALCAADM2
SCHEMBL12990699 0.81 CALCA (0.49) CALCRLCALCAADM2
SCHEMBL12628016 0.80 CALCA (0.52) CALCRLCALCA
SCHEMBL13083797 0.78 MAPT (0.51) CALCRLCALCA
SCHEMBL12990254 0.78 CALCA (0.45) CALCRLCALCA
SCHEMBL12048962 0.77 CALCRL (0.50) CALCRLCALCAADM2
SCHEMBL12049385 0.77 CALCA (0.55) CALCRLCALCA
SCHEMBL12049320 0.77 CALCA (0.52) CALCRLCALCA
SCHEMBL12990708 0.76 CALCA (0.47) CALCRLCALCA
SCHEMBL4501816 0.75 CALCA (0.48) CALCRLCALCA

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-1954135-B1 SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 — — EP disclosed
US-7851464-B2 Spirolactam aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-12-14 — — US disclosed
US-7851464-B2 Spirolactam aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-12-14 — — US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 — — US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 — — US disclosed
WO-2007061677-A2 SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 — — 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-20090247514-A1 Spirolactam aryl cgrp receptor antagonists CALCRL, BDKRB1, CALCR CALCRL 1/4885CALCA 5/4885ADM2 257/4885

“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.

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