SCHEMBL2309552

SCHEMBL2309552

Cc1cccc2c1c(C[N+](C)(C)C)cn2C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 9/20 0.46
CTSG P08311 1/20 0.46
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
GPR84 Q9NQS5 1/20 0.40
CDK2 P24941 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
Iodide SCHEMBL1295529 0.98 CMA1 (0.45) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL2931184 0.82 HTR2C (0.63) HTR2AHTR2CHTR2BGPR84CHRNB2
SCHEMBL10259878 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BGPR84CDK2
SCHEMBL4552632 0.81 CMA1 (0.52) CMA1CTSGHTR2AHTR2CHTR2B
Iodide SCHEMBL5399054 0.81 CHRNB2 (0.41) HTR2AHTR2CHTR2BGPR84CDK2
SCHEMBL1093151 0.80 CMA1 (0.46) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL7963410 0.79 CMA1 (0.48) CMA1CTSGHTR2AHTR2CHTR2B
Iodide SCHEMBL5265553 0.79 CMA1 (0.45) CMA1CTSGHTR2AHTR2CHTR2B
Ammonia Solution, Strong SCHEMBL27500614 0.78 CMA1 (0.47) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL4572379 0.78 HTR2A (0.48) CMA1CTSGHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9062056-B2 Aza-benzimidazolone Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 US disclosed
EP-2391624-B1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-01-16 EP disclosed
US-20120108597-A1 Azaquinazolinediones Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010088195-A1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 WO disclosed
WO-2010030500-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 WO disclosed
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed
CN-100415723-C Benzimidazole derivative TEIJIN LTD (JP) 2008-09-03 CN disclosed
CN-1680339-A Benzimidazole derivative TEIJIN LTD (JP) 2005-10-12 CN disclosed
CN-1198819-C Benzimidazole derivatives TEIJIN LTD (JP) 2005-04-27 CN disclosed
CN-1418211-A Benzimidazole derivatives TEIJIN LTD (JP) 2003-05-14 CN 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 (3 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-20120108597-A1 Azaquinazolinediones Chymase Inhibitors CMA1, SERPINB1, CTSC CMA1 1/4885CTSG 37/4885HTR2A 3852/4885
US-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 CMA1 1/4885CTSG 26/4885HTR2A 3704/4885
US-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 CMA1 1/4885CTSG 26/4885HTR2A 3241/4885

“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.