SCHEMBL13062687

SCHEMBL13062687

Cc1cc2c(c3cn[nH]c13)Cn1c(C3(C)CC3)cnc1[C@H](CC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)C2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.40
▸ CALCRL Q16602 19/20 0.39
▸ RAMP1 O60894 1/20 0.39
▸ MRGPRX2 Q96LB1 1/20 0.39

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
SCHEMBL15935909 0.92 CALCRL (0.39) KCNH2CALCRLRAMP1MRGPRX2
SCHEMBL13062686 0.88 CALCRL (0.49) KCNH2CALCRLRAMP1MRGPRX2
SCHEMBL439306 0.83 CALCRL (0.54) KCNH2CALCRL
SCHEMBL14146300 0.83 CALCRL (0.54) KCNH2CALCRL
SCHEMBL15701569 0.83 CALCRL (0.54) KCNH2CALCRL
SCHEMBL13748824 0.80 CALCRL (0.48) KCNH2CALCRLRAMP1MRGPRX2
SCHEMBL13062691 0.79 CALCRL (0.40) CALCRL
SCHEMBL13062475 0.79 CALCRL (0.39) KCNH2CALCRLRAMP1MRGPRX2
SCHEMBL15701573 0.76 CALCRL (0.64) CALCRL
SCHEMBL14146293 0.75 CALCRL (0.56) KCNH2CALCRLRAMP1MRGPRX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — 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-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, CALCRL KCNH2 72/4885CALCRL 3/4885RAMP1 53/4885

“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.

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