SCHEMBL20780452

SCHEMBL20780452

CC(C)N1C(=O)O[C@H](c2cncnc2)[C@@H]1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.32
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13547556 0.84 CYP3A4 (0.45) IDH1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20780415 0.84 CYP3A4 (0.45) IDH1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20780445 0.81 IDH1 (0.39) IDH1GRM2CYP1A2CYP3A4CYP2C9
SCHEMBL15744015 0.79 GRM2 (0.34) GRM2CYP3A4
SCHEMBL18826430 0.79 IDH1 (0.44) IDH1
SCHEMBL18826417 0.79 IDH1 (0.44) IDH1
SCHEMBL20780459 0.78 HRH3 (0.40) IDH1
SCHEMBL22222475 0.75 FADS1 (0.38) IDH1
SCHEMBL20794167 0.75 FADS1 (0.38) IDH1
SCHEMBL20780427 0.75 FADS1 (0.50) IDH1GRM2

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-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
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 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 (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-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 IDH1 4358/4885GRM2 2768/4885CYP1A2 1375/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 IDH1 4358/4885GRM2 2768/4885CYP1A2 1375/4885

“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.