SCHEMBL20780482

SCHEMBL20780482

CC(C)N1CC(c2cccc(C(F)(F)F)c2)OC1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
CHRM2 P08172 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2B P41595 1/20 0.56
CETP P11597 5/20 0.42
MOGAT2 Q3SYC2 1/20 0.41
KIF11 P52732 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2C P28335 1/20 0.39
FFAR1 O14842 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38

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 0.88 CETP (0.45) HTR1ACHRM2DRD3HTR2BCETP
SCHEMBL20780487 0.84 CETP (0.40) HTR1ACHRM2DRD3HTR2BCETP
SCHEMBL20794455 0.83 CETP (0.41) HTR1ACHRM2DRD3HTR2BCETP
SCHEMBL15744003 0.83 HTR1A (0.50) HTR1ACHRM2DRD3HTR2BDRD2
SCHEMBL20780485 0.82 CETP (0.40) HTR1ACHRM2DRD3HTR2BCETP
SCHEMBL13395498 0.81 HTR1A (0.48) HTR1ACHRM2DRD3HTR2BDRD2
SCHEMBL20780477 0.80 HTR6 (0.49) HTR2B
SCHEMBL13547541 0.80 HTR1A (0.47) HTR1ACHRM2DRD3HTR2BCETP
SCHEMBL20794011 0.79 HTR2B (0.47) HTR2B
SCHEMBL20780486 0.79 HTR2B (0.47) HTR2B

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 HTR1A 2623/4885CHRM2 1762/4885DRD3 3282/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 HTR1A 2623/4885CHRM2 1762/4885DRD3 3282/4885

“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.