SCHEMBL923006

SCHEMBL923006

COC(=O)CC1CCc2cnccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.46
AAK1 Q2M2I8 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
CYP26A1 O43174 1/20 0.38
CYP24A1 Q07973 1/20 0.38
DGAT1 O75907 1/20 0.38
PPARD Q03181 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
Bromide SCHEMBL8124970 0.99 CYP19A1 (0.45) CYP19A1AAK1ITGB3ITGA2BCYP26A1
SCHEMBL924439 0.90 CYP19A1 (0.46) CYP19A1AAK1CYP26A1CYP24A1PPARD
Bromide SCHEMBL8113723 0.83 CYP19A1 (0.49) CYP19A1ITGB3ITGA2BCYP26A1DGAT1
SCHEMBL31374633 0.81 ALDH1A1 (0.52) CYP19A1CYP24A1DGAT1
SCHEMBL6644734 0.81 ALDH1A1 (0.52) CYP19A1CYP24A1DGAT1
SCHEMBL9855381 0.78 CYP26A1 (0.60) CYP19A1ITGB3ITGA2BCYP26A1CYP24A1
SCHEMBL9855296 0.77 CYP24A1 (0.63) CYP19A1ITGB3ITGA2BCYP26A1CYP24A1
SCHEMBL7302984 0.74 CYP19A1 (0.60) CYP19A1CYP26A1CYP24A1
SCHEMBL924605 0.74 HTR1A (0.43) CYP19A1
SCHEMBL8345013 0.74 CYP19A1 (0.38) CYP19A1DGAT1

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-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
WO-2008088936-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 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-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 CYP19A1 1852/4885AAK1 4506/4885ITGB3 1567/4885

“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.