SCHEMBL1849731

SCHEMBL1849731

CCCC(C(=O)OCC)n1nc(Cc2cccc3ccccc23)c2ccccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 7/20 0.79
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL1851671 0.89 CMA1 (1.00) CMA1SMN1; SMN2P2RX3POLB
SCHEMBL7961041 0.83 CMA1 (0.80) CMA1SMN1; SMN2L3MBTL1MAPTRECQL
SCHEMBL7960485 0.81 CMA1 (0.84) CMA1SMN1; SMN2L3MBTL1MAPTRECQL
SCHEMBL18900834 0.81 CMA1 (0.58) CMA1SMN1; SMN2L3MBTL1MAPTRECQL
SCHEMBL18900833 0.79 CMA1 (0.55) CMA1SMN1; SMN2L3MBTL1MAPTRECQL
SCHEMBL7962647 0.77 CMA1 (0.78) CMA1SMN1; SMN2L3MBTL1CYP1A2CYP3A4
SCHEMBL7963507 0.77 CMA1 (0.73) CMA1SMN1; SMN2L3MBTL1RECQLCYP1A2
SCHEMBL7960570 0.75 CMA1 (1.00) CMA1SMN1; SMN2P2RX3POLB
SCHEMBL18900937 0.74 CMA1 (0.73) CMA1SMN1; SMN2P2RX3POLB
SCHEMBL6115243 0.72 CMA1 (0.70) CMA1MAPTPOLBALDH1A1

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 11 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
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-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
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
EP-2323991-A2 CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-25 — — EP disclosed
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — WO 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 1/4885SMN1; SMN2 1912/4885L3MBTL1 3661/4885

“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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