SCHEMBL5478484

SCHEMBL5478484

CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C(C)=C(C(C)=O)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.88
▸ CYP2C9 P11712 7/20 0.88
▸ CYP3A4 P08684 4/20 0.88
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL14520819 0.94 ELANE (1.00) ELANECYP2C9CYP3A4CYP2C8CYP2C19
SCHEMBL5202512 0.91 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL13378063 0.89 ELANE (0.91) ELANECYP2C9CYP3A4
SCHEMBL5483009 0.87 ELANE (0.74) ELANECYP2C9CYP3A4CYP2C8CYP2C19
SCHEMBL2885094 0.86 ELANE (0.92) ELANECYP2C9CYP3A4
SCHEMBL8342078 0.85 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL8344141 0.85 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL5755443 0.84 ELANE (0.88) ELANECYP2C9CYP3A4
SCHEMBL2879286 0.84 ELANE (0.87) ELANECYP2C9CYP3A4
SCHEMBL8340908 0.84 ELANE (0.82) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 — — US disclosed
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 — — US disclosed
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 — — US disclosed
EP-1458682-B1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-08-30 — — EP disclosed
US-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases BAYER HEALTHCARE AG 2005-07-28 — — US disclosed
EP-1458682-A1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES Bayer HealthCare AG (DE) 2004-09-22 — — EP disclosed
WO-2003053930-A1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-07-03 — — 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-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 3202/4885CYP3A4 1315/4885

“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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