SCHEMBL846709

SCHEMBL846709

O=C(Nc1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 13/20 0.49
RAMP1 O60894 5/20 0.49
DEGS1 O15121 1/20 0.48
ADM2 Q7Z4H4 2/20 0.44
ROCK2 O75116 1/20 0.43
CALCA P06881 2/20 0.42
CALCB P10092 1/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12020839 0.88 ADM2 (0.55) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL846254 0.85 CALCRL (0.56) CALCRLRAMP1ADM2NAMPTALDH1A1
SCHEMBL837503 0.83 ADM2 (0.49) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL846711 0.83 CALCRL (0.47) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL13272686 0.80 ADM2 (0.49) CALCRLRAMP1ADM2CALCB
SCHEMBL846281 0.76 ADM2 (0.48) CALCRLRAMP1ADM2CALCBALDH1A1
SCHEMBL846259 0.76 CALCA (0.47) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL17881436 0.76 CALCA (0.47) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL846283 0.76 CALCRL (0.46) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL836905 0.75 CALCRL (0.49) CALCRLRAMP1ADM2CALCACALCB

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 CALCRL 4/4885RAMP1 40/4885DEGS1 1552/4885

“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.