SCHEMBL3192268

SCHEMBL3192268

C[C@@H](c1ccc(Br)cc1)N1CCCC(CC(C)(C)O)(c2ccccc2)OC1=O

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.89
CYP2C9 P11712 13/20 0.89
CYP3A4 P08684 8/20 0.89
CYP2C19 P33261 6/20 0.69

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
SCHEMBL3192258 1.00 HSD11B1 (0.89) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL3201723 1.00 HSD11B1 (0.89) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL992278 0.94 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117440 0.94 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL117441 0.94 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL957734 0.94 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL992276 0.94 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL957301 0.94 HSD11B1 (1.00) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL3211870 0.91 HSD11B1 (0.74) HSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL1029475 0.88 HSD11B1 (0.81) HSD11B1CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202857-B2 1,3-oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885CYP2C9 183/4885CYP3A4 202/4885

“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.