SCHEMBL20780472

SCHEMBL20780472

CC(C)N1CC(c2ccncc2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.37
GRM2 Q14416 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
FADS1 O60427 5/20 0.35
AAK1 Q2M2I8 1/20 0.34
GSK3B P49841 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NPC1 O15118 1/20 0.33
LDHA P00338 1/20 0.32
GAA P10253 1/20 0.32
PDE9A O76083 1/20 0.32

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
SCHEMBL23717192 0.85 GRM2 (0.36) GRM2L3MBTL1LMNAFADS1CDK4
SCHEMBL20794011 0.84 HTR2B (0.47) HTR2BFADS1DDB1CRBN
SCHEMBL13837966 0.84 HTR2B (0.47) HTR2BFADS1DDB1CRBN
SCHEMBL20780486 0.84 HTR2B (0.47) HTR2BFADS1DDB1CRBN
SCHEMBL20780471 0.82 CYP3A4 (0.47) HTR2BCYP1A2
SCHEMBL20780487 0.81 CETP (0.40) HTR2BFADS1
SCHEMBL15743971 0.79 ALOX5 (0.41) GRM2L3MBTL1LMNAFADS1GSK3B
SCHEMBL13394528 0.76 HTR2B (0.37) HTR2BGRM2L3MBTL1LMNAFADS1
SCHEMBL11433867 0.76 PDE4A (0.46) FADS1GSK3BGAA
SCHEMBL13413561 0.75 GRM2 (0.45) GRM2L3MBTL1LMNAFADS1CDK4

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-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO 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-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 HTR2B 3170/4885GRM2 2768/4885L3MBTL1 3348/4885

“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.