SCHEMBL12788173

SCHEMBL12788173

CN1CCc2cc(Cl)ccc2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.51
▸ BRD4 O60885 5/20 0.46
▸ CREBBP Q92793 1/20 0.44
▸ NOTUM Q6P988 2/20 0.42
▸ HTR5A P47898 3/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ HTR1D P28221 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HTR3A P46098 2/20 0.41
▸ AKR1B1 P15121 3/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ SRD5A1 P18405 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38

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
SCHEMBL14665416 0.83 AHR (0.42) AHRNOTUMHTR5AHTR7ADRA2A
SCHEMBL13806433 0.81 BRD4 (0.71) AHRBRD4CREBBPAKR1B1CMA1
SCHEMBL13885026 0.81 AHR (0.51) AHRNOTUMHTR5AHTR7ADRA2A
SCHEMBL1700420 0.79 AHR (0.43) AHRNOTUMDRD4HTR2CHTR2B
SCHEMBL12788177 0.78 DRD1 (0.54) BRD4NOTUMDRD4
SCHEMBL22335117 0.77 AHR (0.44) AHRNOTUMHTR5AHTR7ADRA2A
SCHEMBL2606232 0.76 BRD4 (0.68) AHRBRD4CREBBPDRD4HTR2A
SCHEMBL13068353 0.75 CRHR1 (0.43) AHRNOTUMHTR7CMA1SCN9A
SCHEMBL14698684 0.74 AHR (0.59) AHRHTR5AHTR7ADRA2AADRA2B
SCHEMBL1764573 0.74 AHR (0.70) AHRCMA1SRD5A1

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-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 — — 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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA AHR 2751/4885BRD4 3250/4885CREBBP 2426/4885

“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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