SCHEMBL7963672

SCHEMBL7963672

Cn1cc(Cc2nn(CCC(=O)OC(C)(C)C)c(=O)c3ccccc23)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 9/20 0.67
▸ GPR84 Q9NQS5 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ ADRA1B P35368 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
SCHEMBL7961797 0.89 CMA1 (0.78) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7959067 0.86 CMA1 (0.85) CMA1GPR84CYP1A2CYP3A4CYP2C9
SCHEMBL7963656 0.81 POLB (0.48) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7951727 0.81 CMA1 (1.00) CMA1GPR84CYP1A2CYP3A4CYP2C9
SCHEMBL7959611 0.80 CMA1 (0.77) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18900854 0.79 CMA1 (0.76) CMA1GPR84MAPTTSHRRECQL
SCHEMBL6115259 0.75 CMA1 (1.00) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1847687 0.73 CMA1 (0.64) CMA1GPR84TSHR
SCHEMBL23677872 0.71 KMT2A (0.47) GPR84L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3418056 0.71 CMA1 (1.00) CMA1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — 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-20120129863-A1 CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 CMA1 1/4885GPR84 3124/4885CYP1A2 2423/4885

“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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