SCHEMBL3483304

SCHEMBL3483304

O=C(NCc1cncc2ccccc12)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 10/20 0.43
▸ RAMP1 O60894 1/20 0.42
▸ ADM2 Q7Z4H4 9/20 0.42
▸ CALCB P10092 8/20 0.42
▸ CALCA P06881 1/20 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
SCHEMBL13997646 0.92 ADM2 (0.45) CALCRLRAMP1ADM2CALCB
SCHEMBL13253199 0.89 ADORA2A (0.39) CALCRLRAMP1ADM2CALCB
SCHEMBL16602178 0.86 CALCRL (0.51) CALCRLRAMP1ADM2CALCB
SCHEMBL16602175 0.85 CALCRL (0.45) CALCRLRAMP1ADM2CALCBCALCA
SCHEMBL13997596 0.85 CALCRL (0.44) CALCRLRAMP1ADM2CALCB
SCHEMBL16602184 0.81 CALCRL (0.47) CALCRLRAMP1ADM2CALCBCALCA
SCHEMBL13253212 0.80 CALCRL (0.38) CALCRL
SCHEMBL16602179 0.80 CALCRL (0.46) CALCRLRAMP1ADM2CALCB
SCHEMBL13997393 0.80 CALCRL (0.49) CALCRLRAMP1ADM2CALCB
SCHEMBL13997603 0.80 CALCRL (0.48) CALCRLRAMP1ADM2CALCB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — US disclosed
WO-2008153849-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-18 — — 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-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCRL 6/4885RAMP1 38/4885ADM2 90/4885

“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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