SCHEMBL20780487

SCHEMBL20780487

CC(C)N1CC(c2ccc(C(F)(F)F)cc2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.40
ESR1 P03372 1/20 0.39
FADS1 O60427 4/20 0.39
HSD11B1 P28845 2/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LIPE Q05469 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20780432 0.87 CETP (0.45) CETPCHRM2HTR1ADRD3HTR2B
SCHEMBL20780482 0.84 HTR1A (0.56) CETPCHRM2HTR1ADRD3HTR2B
SCHEMBL20794455 0.82 CETP (0.41) CETPCHRM2HTR1ADRD3HTR2B
SCHEMBL20780485 0.81 CETP (0.40) CETPCHRM2HTR1ADRD3HTR2B
SCHEMBL20780472 0.81 HTR2B (0.37) FADS1HTR2B
SCHEMBL15744000 0.81 FADS1 (0.41) CETPESR1FADS1MEN1KMT2A
SCHEMBL20794011 0.80 HTR2B (0.47) FADS1HSD11B1HTR2BKMT2A
SCHEMBL20780486 0.80 HTR2B (0.47) FADS1HSD11B1HTR2BKMT2A
SCHEMBL13837966 0.80 HTR2B (0.47) FADS1HSD11B1HTR2BKMT2A
SCHEMBL13395496 0.79 FADS1 (0.40) CETPESR1FADS1HTR2BMEN1

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
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 (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-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CETP 10/4885ESR1 3677/4885FADS1 318/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CETP 10/4885ESR1 3677/4885FADS1 318/4885

“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.