SCHEMBL5042838

SCHEMBL5042838

Cc1cc(N2CCCC2CO)c2cc(F)c(OCc3ccccc3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.42
SPHK2 Q9NRA0 7/20 0.41
SPHK1 Q9NYA1 6/20 0.41
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK1 P06493 6/20 0.38
CDK5 Q00535 4/20 0.38
ADAM17 P78536 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GRM2 Q14416 1/20 0.37
CD274 Q9NZQ7 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
SCHEMBL5042835 1.00 ACVR1 (0.42) ACVR1SPHK2SPHK1CCNE2CDK4
SCHEMBL5037505 0.89 SPHK2 (0.45) ACVR1SPHK2SPHK1
SCHEMBL5037508 0.89 SPHK2 (0.45) ACVR1SPHK2SPHK1
SCHEMBL5037485 0.85 ALOX5AP (0.35) ACVR1SPHK2SPHK1GRM2
SCHEMBL5037480 0.85 ALOX5AP (0.35) ACVR1SPHK2SPHK1GRM2
SCHEMBL5033262 0.84 SPHK2 (0.49) ACVR1SPHK2SPHK1
SCHEMBL5033251 0.84 SPHK2 (0.49) ACVR1SPHK2SPHK1
SCHEMBL5036061 0.81 NCF1 (0.54) TLR9TLR7GRM2
SCHEMBL5037476 0.79 CCNE2 (0.39) ACVR1CCNE2CDK4CCND1CCNE1
SCHEMBL5037479 0.79 CCNE2 (0.39) ACVR1CCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R ACVR1 3724/4885SPHK2 3483/4885SPHK1 3433/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R ACVR1 3724/4885SPHK2 3483/4885SPHK1 3433/4885

“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.