SCHEMBL6115844

SCHEMBL6115844

Cc1ccc(C)c(Cc2nn(CCC(=O)O)c(=O)c3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 4/20 0.63
▸ TSHR P16473 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ AKR1B1 P15121 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL7963569 0.86 CMA1 (0.48) CMA1TSHRSMN1; SMN2CYP1A2CYP3A4
SCHEMBL7965389 0.84 CMA1 (0.45) CMA1SMN1; SMN2ALDH1A1POLBHTT
SCHEMBL6115916 0.79 CMA1 (0.81) CMA1TSHRALOX15MAPTSMN1; SMN2
SCHEMBL7959067 0.78 CMA1 (0.85) CMA1TSHRALOX15MAPTAKR1B1
SCHEMBL6115259 0.78 CMA1 (1.00) CMA1TSHRALOX15MAPTCYP1A2
SCHEMBL6115415 0.76 CMA1 (0.56) CMA1TSHRALOX15MAPTSMN1; SMN2
SCHEMBL7967791 0.74 CMA1 (0.56) CMA1TSHRALOX15MAPTSMN1; SMN2
SCHEMBL6115061 0.73 HRH1 (0.66) CMA1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7951727 0.70 CMA1 (1.00) CMA1TSHRALOX15MAPTAKR1B1
SCHEMBL7960258 0.70 CMA1 (1.00) CMA1TSHRALOX15MAPTAKR1B1

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
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
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 1/4885TSHR 4225/4885THRB 4705/4885

“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.

Send feedback