SCHEMBL280555

SCHEMBL280555

Cc1ncnc2c1C1(Cc3ccc(N=O)cc3C1)C(=O)N2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 8/20 0.32
RAMP1 O60894 5/20 0.31
CALCA P06881 2/20 0.30
ADM2 Q7Z4H4 1/20 0.30

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
SCHEMBL12060708 0.86 CALCRL (0.31) CALCRLRAMP1CALCA
SCHEMBL12414774 0.83 CA9 (0.32) CALCRLADM2
SCHEMBL261335 0.68 CA9 (0.32) CALCRL
SCHEMBL15935914 0.66 ALDH1A1 (0.42) CALCRLRAMP1CALCAADM2
SCHEMBL15227998 0.66 IP6K1 (0.36) CALCRLRAMP1
SCHEMBL7033503 0.65 IP6K1 (0.40) CALCRLRAMP1
SCHEMBL261045 0.65 TDP2 (0.39)
SCHEMBL15935911 0.65 CALCRL (0.39) CALCRLRAMP1CALCAADM2
SCHEMBL2522488 0.64 CALCA (0.46) CALCRLRAMP1CALCAADM2
SCHEMBL24220794 0.63 CALCA (0.50) CALCRLRAMP1CALCAADM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 US disclosed
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-24 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 (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-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885RAMP1 109/4885CALCA 11/4885

“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.