SCHEMBL846246

SCHEMBL846246

CCCC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 10/20 0.63
CALCB P10092 9/20 0.62
CALCRL Q16602 10/20 0.61

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
SCHEMBL5955987 0.88 ADM2 (0.64) ADM2CALCBCALCRL
SCHEMBL2290842 0.87 ADM2 (0.68) ADM2CALCBCALCRL
Hydrochloric Acid SCHEMBL31039474 0.87 ADM2 (0.63) ADM2CALCBCALCRL
Hydrochloric Acid SCHEMBL20565071 0.87 ADM2 (0.63) ADM2CALCBCALCRL
SCHEMBL31039432 0.86 ADM2 (0.61) ADM2CALCBCALCRL
SCHEMBL10246286 0.86 ADM2 (0.61) ADM2CALCBCALCRL
SCHEMBL22014163 0.86 ADM2 (0.61) ADM2CALCBCALCRL
SCHEMBL12020710 0.85 CALCB (0.63) ADM2CALCBCALCRL
SCHEMBL12020826 0.85 ADM2 (0.61) ADM2CALCBCALCRL
SCHEMBL12020825 0.85 CALCB (0.62) ADM2CALCBCALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
US-7989624-B2 Aryl spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-05-13 US disclosed
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-01-03 US 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 (2 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-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR ADM2 145/4885CALCB 16/4885CALCRL 4/4885
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL ADM2 252/4885CALCB 15/4885CALCRL 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.