SCHEMBL2309782

SCHEMBL2309782

CCn1cc(CO)c2c(C)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
NR4A2 P43354 1/20 0.38
CYP19A1 P11511 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC5A2 P31639 2/20 0.37
PADI4 Q9UM07 1/20 0.36
BRCA1 P38398 1/20 0.35
HTR2B P41595 1/20 0.35
CMA1 P23946 3/20 0.35
CTSG P08311 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
MCL1 Q07820 1/20 0.34
BAD Q92934 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34

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
SCHEMBL5469549 0.75 CYP19A1 (0.59) NR4A2CYP19A1TBXAS1PADI4BRCA1
SCHEMBL28131230 0.73 NR4A2 (0.44) HTR2AHTR2CNR4A2BRCA1LMNA
SCHEMBL2314684 0.72 ALDH1A1 (0.42) HTR2AHTR2CLMNAALDH1A1SMN1; SMN2
SCHEMBL31668297 0.69 POLB (0.49) CYP19A1LMNAALDH1A1SMN1; SMN2
SCHEMBL3482839 0.69 HTR2A (0.38) HTR2AHTR2CNR4A2CYP19A1TBXAS1
SCHEMBL13168967 0.68 UPP1 (0.35) HTR2AHTR2CHTR2BCMA1CTSG
SCHEMBL11359456 0.68 PADI4 (0.56) NR4A2CYP19A1TBXAS1PADI4BRCA1
SCHEMBL19048575 0.68 MCL1 (0.43) HTR2AHTR2CNR4A2LMNAALDH1A1
SCHEMBL665932 0.67 MEN1 (0.56) NR4A2CYP19A1TBXAS1BRCA1LMNA
SCHEMBL13131362 0.67 REN (0.51) HTR2AHTR2CHTR2BALDH1A1MCL1

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 9 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-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP 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
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 HTR2A 3241/4885HTR2C 3454/4885NR4A2 4239/4885

“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.