SCHEMBL8340495

SCHEMBL8340495

CC1=C(C(=O)OC(C)C)C(c2ccc(Br)cc2)C(C(=O)OC(C)C)=C(N)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 18/20 0.73
▸ CYP2C9 P11712 10/20 0.73
▸ CYP3A4 P08684 6/20 0.73
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL8344775 0.95 ELANE (0.82) ELANECYP2C9CYP3A4
SCHEMBL8340908 0.95 ELANE (0.82) ELANECYP2C9CYP3A4
SCHEMBL13378082 0.93 ELANE (0.67) ELANECYP2C9CYP3A4
SCHEMBL13378054 0.90 ELANE (0.75) ELANECYP2C9CYP3A4CYP2C8CYP2C19
SCHEMBL13378086 0.90 ELANE (0.67) ELANECYP2C9CYP3A4
SCHEMBL13378063 0.89 ELANE (0.91) ELANECYP2C9CYP3A4
SCHEMBL13378060 0.88 ELANE (0.65) ELANECYP2C9CYP3A4LMNA
SCHEMBL8344162 0.88 ELANE (0.74) ELANECYP2C9CYP3A4
SCHEMBL8340888 0.87 ELANE (0.64) ELANECYP2C9CYP3A4
SCHEMBL13378079 0.87 ELANE (0.76) ELANECYP2C9CYP3A4

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
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 — — US disclosed
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 — — US disclosed
EP-1537081-B1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-10-15 — — EP disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 — — US disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 — — US disclosed
WO-2004020412-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 — — 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-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 2483/4885CYP3A4 1954/4885

“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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