SCHEMBL6907546

SCHEMBL6907546

CC(C)(O)c1cc2c3c(c1)CCN3C(=S)CC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.46
CYP11B2 P19099 9/20 0.46
CYP19A1 P11511 3/20 0.39
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOTUM Q6P988 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL6907674 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1KMT2ATDP1
SCHEMBL6906428 0.78 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1KMT2ATDP1
SCHEMBL6906369 0.73 CYP11B2 (0.48) CYP11B1CYP11B2CYP19A1KMT2ATDP1
SCHEMBL6908297 0.73 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1KMT2ATDP1
SCHEMBL1875838 0.65 CYP11B2 (0.60) CYP11B1CYP11B2
SCHEMBL1876932 0.63 CYP11B1 (0.64) CYP11B1CYP11B2
SCHEMBL15850901 0.63 CYP11B1 (0.64) CYP11B1CYP11B2
SCHEMBL10014313 0.60 RAD52 (0.36) CYP11B1CYP11B2KMT2ANOTUML3MBTL1
SCHEMBL548187 0.60 GABRA1 (0.45) KMT2ATDP1
SCHEMBL8985984 0.58 MEN1 (0.42) KMT2ATDP1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 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 (2 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 CYP11B1 6/4885CYP11B2 4/4885CYP19A1 52/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP19A1 60/4885

“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.