SCHEMBL15744003

SCHEMBL15744003

CN1CC(c2cccc(C(F)(F)F)c2)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
CHRM2 P08172 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
ALOX5 P09917 1/20 0.46
DRD2 P14416 1/20 0.44
MAPT P10636 2/20 0.42
HTR2C P28335 2/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR1 O14842 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
KCNN4 O15554 1/20 0.40

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
SCHEMBL23846735 0.85 CETP (0.42) HTR1ACHRM2DRD3HTR2BALOX5
SCHEMBL20794457 0.85 CETP (0.42) HTR1ACHRM2DRD3HTR2BALOX5
SCHEMBL13395498 0.84 HTR1A (0.48) HTR1ACHRM2DRD3HTR2BDRD2
SCHEMBL13547541 0.83 HTR1A (0.47) HTR1ACHRM2DRD3HTR2BDRD2
SCHEMBL20780482 0.83 HTR1A (0.56) HTR1ACHRM2DRD3HTR2BDRD2
SCHEMBL15744000 0.82 FADS1 (0.41) ALOX5MAPT
SCHEMBL15743999 0.80 ALOX5 (0.49) DRD3ALOX5DRD2HTR2C
SCHEMBL15744001 0.80 CETP (0.37) HTR1ACHRM2DRD3HTR2BALOX5
SCHEMBL10725882 0.78 ALOX5 (0.51) HTR1ADRD3ALOX5DRD2
SCHEMBL15928300 0.78 HTR6 (0.52) ALOX5MAPTALDH1A1

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 6 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 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
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
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 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 (5 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP HTR1A 3040/4885CHRM2 3790/4885DRD3 4422/4885
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 HTR1A 4040/4885CHRM2 1777/4885DRD3 4548/4885
US-20200222406-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-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.