SCHEMBL18394263

SCHEMBL18394263

Cc1nn2c(c1C)NC(=O)CC2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.54
CYP11B1 P15538 6/20 0.54
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRBN Q96SW2 6/20 0.33
DDB1 Q16531 5/20 0.33

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
SCHEMBL14810037 0.71 CYP11B2 (1.00) CYP11B2CYP11B1NPC1LMNARAB9A
SCHEMBL14810129 0.70 CYP11B2 (0.68) CYP11B2CYP11B1
SCHEMBL12668351 0.67 CYP11B2 (0.38) CYP11B2CYP11B1NPC1LMNARAB9A
SCHEMBL13943628 0.67 MAPT (0.35) LMNA
SCHEMBL13114252 0.66 CYP11B2 (0.57) CYP11B2CYP11B1NPC1LMNARAB9A
SCHEMBL9019949 0.60 NPC1 (0.45) CYP11B2CYP11B1NPC1LMNARAB9A
SCHEMBL23034290 0.60 CYP11B2 (0.33) CYP11B2CYP11B1NPC1LMNARAB9A
SCHEMBL19207845 0.60 CYP11B2 (0.38) CYP11B2CYP11B1RAB9ACRBNDDB1
SCHEMBL21086729 0.59 CRBN (0.37) CYP11B2CYP11B1NPC1LMNARAB9A
SCHEMBL25247849 0.59 NPC1 (0.35) CYP11B2CYP11B1NPC1LMNARAB9A

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-9844553-B2 Pyrazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-19 US disclosed
US-20170020879-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2017-01-26 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-20170020879-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B2, CYP11B1 CYP11B2 2/4885CYP11B1 3/4885NPC1 1320/4885

“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.