SCHEMBL13015186

SCHEMBL13015186

CC(C)(C)c1ccc2c(c1)CC1(C2)OC(=O)Nc2nccnc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
AVPR1A P37288 7/20 0.33
KCNH2 Q12809 1/20 0.31
TNKS2 Q9H2K2 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
SCHEMBL15935915 0.85 AVPR1A (0.38) ADRA2AAVPR1AKCNH2
SCHEMBL13015184 0.85 KCNH2 (0.39) AVPR1AKCNH2TNKS2
SCHEMBL13015187 0.80 CALCRL (0.38)
SCHEMBL13015185 0.79 DGAT1 (0.30) AVPR1A
SCHEMBL15935550 0.79 AVPR1A (0.33) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL13747461 0.71 KCNH2 (0.43) AVPR1AKCNH2
SCHEMBL15935918 0.69 KCNH2 (0.39) AVPR1AKCNH2
SCHEMBL13015178 0.68 CALCRL (0.51)
SCHEMBL15935556 0.68 AVPR1A (0.40) AVPR1A
SCHEMBL15935551 0.68 CALCRL (0.36)

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-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 US disclosed
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 ADRA2A 39/4885ADRA2B 19/4885ADRA2C 106/4885

“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.