SCHEMBL17211104

SCHEMBL17211104

Fc1cc(Br)cc2c1-n1cnnc1CC2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.59
CYP11B1 P15538 11/20 0.56
DRD4 P21917 1/20 0.35

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
SCHEMBL15463892 0.74 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL11772012 0.72 CYP11B2 (0.56) CYP11B2CYP11B1
SCHEMBL13727763 0.72 CYP11B2 (0.60) CYP11B2CYP11B1
SCHEMBL14779919 0.64 SRD5A1 (0.46) CYP11B2CYP11B1
SCHEMBL11771884 0.62 CYP11B2 (0.43) CYP11B2CYP11B1DRD4
SCHEMBL20177859 0.60 ADRA1A (0.31)
SCHEMBL15472248 0.60 NPSR1 (0.30)
SCHEMBL29375857 0.59 HSD17B1 (0.33)
SCHEMBL1727000 0.59 HSD17B1 (0.33)
SCHEMBL2883166 0.58 GAA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278093-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-08 US disclosed
US-9278093-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-08 US disclosed
US-20150306091-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 US disclosed
US-20150306091-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 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-20150306091-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, HSD11B1, HSD11B2 CYP11B2 6/4885CYP11B1 7/4885DRD4 4760/4885

“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.