SCHEMBL17686115

SCHEMBL17686115

CC1(C)OB(c2cncc(CN3CCOCC3=O)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.46
CYP11B1 P15538 2/20 0.42
RIPK2 O43353 1/20 0.39
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
GRM2 Q14416 1/20 0.34
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
JAK2 O60674 1/20 0.31
PER2 O15055 1/20 0.31
FFAR1 O14842 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CYP2C9 P11712 1/20 0.30
NAMPT P43490 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
SCHEMBL2239353 0.82 LPL (0.44) GRM2JAK2LPLLIPG
SCHEMBL552986 0.81 PRMT6 (0.40) CYP11B2FFAR1GSK3B
SCHEMBL16196348 0.75 CYP11B2 (0.51) CYP11B2CYP11B1RIPK2PIK3CAMTOR
SCHEMBL23242460 0.75 LIPG (0.43) LPLLIPG
SCHEMBL552345 0.75 KDM4E (0.47)
SCHEMBL17184781 0.74 CHRNB2 (0.43) FFAR1LPLLIPG
SCHEMBL15885252 0.72 FFAR1 (0.44) FFAR1
SCHEMBL17108792 0.71 ACHE (0.41) FFAR1LPLLIPG
SCHEMBL23242449 0.71 LPL (0.43) LPLLIPG
SCHEMBL30629583 0.70 PRMT5 (0.33) CYP11B2GRM2PRMT5WDR77PER2

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-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 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-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, HSD11B1 CYP11B2 5/4885CYP11B1 2/4885RIPK2 4600/4885

“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.