SCHEMBL10246001

SCHEMBL10246001

O=C1Nc2ncccc2C12Cc1ccccc1C2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 13/20 0.51
CALCA P06881 3/20 0.50
ADM2 Q7Z4H4 4/20 0.48
RAMP1 O60894 6/20 0.47
CALCB P10092 3/20 0.47

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
SCHEMBL29549672 0.89 CALCRL (0.48) CALCRLCALCARAMP1
SCHEMBL16658950 0.89 CALCRL (0.48) CALCRLCALCARAMP1
SCHEMBL13272817 0.86 CALCA (0.50) CALCRLCALCAADM2RAMP1CALCB
SCHEMBL13671264 0.86 CALCA (0.50) CALCRLCALCAADM2RAMP1CALCB
SCHEMBL1700141 0.86 CALCA (0.50) CALCRLCALCAADM2RAMP1CALCB
SCHEMBL24220794 0.86 CALCA (0.50) CALCRLCALCAADM2RAMP1CALCB
SCHEMBL260524 0.86 CALCA (0.50) CALCRLCALCAADM2RAMP1CALCB
SCHEMBL550614 0.86 CALCA (0.50) CALCRLCALCAADM2RAMP1CALCB
SCHEMBL549390 0.86 CALCA (0.50) CALCRLCALCAADM2RAMP1CALCB
SCHEMBL13192357 0.86 CALCA (0.50) CALCRLCALCAADM2RAMP1CALCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 15/4885ADM2 87/4885
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 CALCRL 34/4885CALCA 274/4885ADM2 6/4885

“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.