SCHEMBL2854873

SCHEMBL2854873

NC1CCN(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CHRM4 P08173 8/20 0.45
NOTUM Q6P988 1/20 0.45
ABL1 P00519 3/20 0.44
FFAR4 Q5NUL3 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
DDR1 Q08345 2/20 0.41

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
SCHEMBL22816476 0.91 PIM1 (0.46) CASRCCNCCDK8CHRM4NOTUM
SCHEMBL22816541 0.90 FFAR4 (0.47) CASRCHRM4NOTUMFFAR4CHRM2
SCHEMBL2853626 0.84 NOTUM (0.64) CASRCHRM4NOTUMFFAR4CHRM2
SCHEMBL30596350 0.84 NOTUM (0.64) CASRCHRM4NOTUMFFAR4CHRM2
SCHEMBL22815763 0.81 NOTUM (0.48) CASRCHRM4NOTUMABL1FFAR4
SCHEMBL12921413 0.79 NOTUM (0.59) CCNCCDK8NOTUM
SCHEMBL21624814 0.79 NOTUM (0.59) CCNCCDK8NOTUM
SCHEMBL7045292 0.79 NOTUM (0.59) CCNCCDK8NOTUM
SCHEMBL14275555 0.79 HTR3E (0.50) CCNCCDK8
SCHEMBL13859090 0.78 CACNA1B (0.40) CASRCHRM4FFAR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 US disclosed
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP 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-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT CASR 4519/4885CCNC 4313/4885CDK8 4421/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT CASR 4519/4885CCNC 4313/4885CDK8 4421/4885

“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.