SCHEMBL801469

SCHEMBL801469

Cn1c(=O)oc2ccc(-c3cncc(F)c3)cc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.54
CYP11B2 P19099 3/20 0.53
KCNJ1 P48048 3/20 0.43
GRIN1 Q05586 6/20 0.42
GRIN2B Q13224 6/20 0.42
CYP11B1 P15538 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
BACE1 P56817 2/20 0.39
CTSD P07339 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
SCHEMBL782507 0.82 CYP11B2 (0.48) GPR55CYP11B2KCNJ1DDB1CRBN
SCHEMBL783358 0.82 CYP11B2 (0.49) GPR55CYP11B2KCNJ1CYP11B1
SCHEMBL782795 0.81 CYP11B2 (0.47) GPR55CYP11B2KCNJ1CYP11B1BACE1
SCHEMBL783487 0.81 KCNJ1 (0.51) GPR55CYP11B2KCNJ1CYP11B1
SCHEMBL782587 0.80 CYP11B2 (0.52) GPR55CYP11B2KCNJ1CYP11B1
SCHEMBL782371 0.80 CYP11B2 (0.64) GPR55CYP11B2KCNJ1CYP11B1
SCHEMBL782951 0.80 CYP19A1 (0.55) GPR55CYP11B2CYP11B1BACE1
SCHEMBL782500 0.79 KCNJ1 (0.50) GPR55CYP11B2KCNJ1
SCHEMBL782575 0.78 CYP11B2 (0.65) GPR55CYP11B2KCNJ1
SCHEMBL782484 0.78 CYP11B2 (0.85) GPR55CYP11B2KCNJ1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US 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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 GPR55 852/4885CYP11B2 1/4885KCNJ1 630/4885

“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.