SCHEMBL20780477

SCHEMBL20780477

CC(C)N1C[C@@H](c2cccc(Cl)c2)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
FADS1 O60427 2/20 0.48
MDM2 Q00987 7/20 0.42
TP53 P04637 2/20 0.39
LDHA P00338 1/20 0.39
GRM2 Q14416 2/20 0.38
F11 P03951 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
HTR2B P41595 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
SCHEMBL13950170 0.89 HTR6 (0.45) HTR6FADS1MDM2TP53LDHA
SCHEMBL27631232 0.89 HTR6 (0.47) HTR6FADS1MDM2TP53LDHA
SCHEMBL6337525 0.83 HTR6 (0.45) HTR6FADS1MDM2LDHAGRM2
SCHEMBL20780486 0.82 HTR2B (0.47) HTR6FADS1HTR2B
SCHEMBL20794011 0.82 HTR2B (0.47) HTR6FADS1HTR2B
SCHEMBL13837966 0.82 HTR2B (0.47) HTR6FADS1HTR2B
SCHEMBL15928300 0.81 HTR6 (0.52) HTR6FADS1MDM2TP53LDHA
SCHEMBL9641472 0.81 MDM2 (0.52) HTR6FADS1MDM2TP53HTR2B
SCHEMBL9063620 0.80 F11 (0.41) HTR6FADS1MDM2LDHAGRM2
SCHEMBL9063617 0.80 F11 (0.41) HTR6FADS1MDM2LDHAGRM2

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-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
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-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 HTR6 3502/4885FADS1 1182/4885MDM2 4280/4885
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 HTR6 1158/4885FADS1 318/4885MDM2 4268/4885

“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.