SCHEMBL5037480

SCHEMBL5037480

Cc1cc(N2CCC[C@H]2CO)c2cc(F)c(OCc3ccc(C#N)nc3)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
SPHK2 Q9NRA0 3/20 0.34
ACVR1 Q04771 1/20 0.34
ERG P11308 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
GRM2 Q14416 3/20 0.33
SOS1 Q07889 2/20 0.33
CHRM4 P08173 1/20 0.33
RORC P51449 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5037485 1.00 ALOX5AP (0.35) ALOX5APFEN1SPHK2ACVR1ERG
SCHEMBL5037505 0.90 SPHK2 (0.45) SPHK2ACVR1SOS1SPHK1MAPT
SCHEMBL5037508 0.90 SPHK2 (0.45) SPHK2ACVR1SOS1SPHK1MAPT
SCHEMBL5042856 0.87 SPHK2 (0.41) SPHK2ACVR1SPHK1
SCHEMBL6377060 0.87 SPHK2 (0.41) SPHK2ACVR1SPHK1
SCHEMBL5042838 0.85 ACVR1 (0.42) SPHK2ACVR1GRM2SPHK1
SCHEMBL5042835 0.85 ACVR1 (0.42) SPHK2ACVR1GRM2SPHK1
SCHEMBL5042845 0.84 NCF1 (0.39) ALOX5APFEN1GRM2CHRM4MAPT
SCHEMBL5523005 0.77 SPHK2 (0.49) SPHK2ACVR1SPHK1MAPTTSHR
SCHEMBL5523009 0.77 SPHK2 (0.49) SPHK2ACVR1SPHK1MAPTTSHR

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 ALOX5AP 1971/4885FEN1 4885/4885SPHK2 3483/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R ALOX5AP 1971/4885FEN1 4885/4885SPHK2 3483/4885

“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.