SCHEMBL20780415

SCHEMBL20780415

CC(C)N1C(=O)O[C@H](c2cccnc2)[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 3/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.39
IDH1 O75874 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 1.00 CYP3A4 (0.45) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL20780445 0.84 IDH1 (0.39) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL20780452 0.84 IDH1 (0.32) CYP3A4CYP1A2CYP2C9CYP2C19IDH1
SCHEMBL25858974 0.82 IDH1 (0.44) TSHRMEN1KMT2AALDH1A1IDH1
SCHEMBL18826430 0.82 IDH1 (0.44) TSHRMEN1KMT2AALDH1A1IDH1
SCHEMBL18826417 0.82 IDH1 (0.44) TSHRMEN1KMT2AALDH1A1IDH1
SCHEMBL15744004 0.81 KDM4E (0.49) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL15744020 0.81 KDM4E (0.49) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL20780465 0.77 P2RX7 (0.34) IDH1
SCHEMBL13394896 0.77 KDM4E (0.40) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E

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
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
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 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-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CYP3A4 1395/4885CYP1A2 1375/4885CYP2C9 1250/4885

“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.