SCHEMBL846281

SCHEMBL846281

O=C(CCOc1ccccc1)Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 9/20 0.48
CALCRL Q16602 10/20 0.47
RAMP1 O60894 3/20 0.47
CALCB P10092 8/20 0.46
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL31039423 0.78 ADM2 (0.52) ADM2CALCRLRAMP1CALCB
SCHEMBL846711 0.77 CALCRL (0.47) ADM2CALCRLRAMP1CALCB
SCHEMBL846709 0.76 CALCRL (0.49) ADM2CALCRLRAMP1CALCBALDH1A1
SCHEMBL846259 0.76 CALCA (0.47) ADM2CALCRLRAMP1CALCB
SCHEMBL17881436 0.76 CALCA (0.47) ADM2CALCRLRAMP1CALCB
SCHEMBL846283 0.76 CALCRL (0.46) ADM2CALCRLRAMP1CALCB
SCHEMBL836905 0.75 CALCRL (0.49) ADM2CALCRLRAMP1CALCB
SCHEMBL16508720 0.75 MAPT (0.51) CALCRLRAMP1ALDH1A1
SCHEMBL16508817 0.74 CALCRL (0.48) ADM2CALCRLRAMP1CALCB
SCHEMBL13272676 0.74 CALCRL (0.48) ADM2CALCRLRAMP1CALCB

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 5 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-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-05-13 US disclosed
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-05-13 US disclosed
WO-2008130524-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 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-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR ADM2 145/4885CALCRL 4/4885RAMP1 40/4885

“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.