SCHEMBL5037508

SCHEMBL5037508

Cc1cc(N2CCCC2CO)c2cc(F)c(OCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.45
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
SOS1 Q07889 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
ACVR1 Q04771 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35

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
SCHEMBL5037505 1.00 SPHK2 (0.45) SPHK2MAPTTSHRRECQLNPSR1
SCHEMBL5037485 0.90 ALOX5AP (0.35) SPHK2MAPTTSHRRECQLNPSR1
SCHEMBL5037480 0.90 ALOX5AP (0.35) SPHK2MAPTTSHRRECQLNPSR1
SCHEMBL5042838 0.89 ACVR1 (0.42) SPHK2ACVR1SPHK1
SCHEMBL5042835 0.89 ACVR1 (0.42) SPHK2ACVR1SPHK1
SCHEMBL5040525 0.85 SPHK2 (0.53) SPHK2MAPTTSHRRECQLNPSR1
SCHEMBL5035994 0.85 SPHK2 (0.53) SPHK2MAPTTSHRRECQLNPSR1
SCHEMBL5035995 0.85 SPHK2 (0.53) SPHK2MAPTTSHRRECQLNPSR1
SCHEMBL5523005 0.84 SPHK2 (0.49) SPHK2MAPTTSHRRECQLNPSR1
SCHEMBL5523009 0.84 SPHK2 (0.49) SPHK2MAPTTSHRRECQLNPSR1

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-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 claimed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US claimed
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 SPHK2 3483/4885MAPT 3753/4885TSHR 203/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R SPHK2 3483/4885MAPT 3753/4885TSHR 203/4885

“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.