SCHEMBL5033262

SCHEMBL5033262

Cc1cc(N2CCCC2CO)c2ccc(OCc3ccccc3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 14/20 0.49
SPHK1 Q9NYA1 14/20 0.49
ACVR1 Q04771 1/20 0.44
MCHR1 Q99705 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 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
SCHEMBL5033251 1.00 SPHK2 (0.49) SPHK2SPHK1ACVR1MCHR1CHRNB2
SCHEMBL5037432 0.90 CSF1R (0.41) SPHK2SPHK1ACVR1
SCHEMBL5037438 0.90 CSF1R (0.41) SPHK2SPHK1ACVR1
SCHEMBL5037522 0.90 KCNH2 (0.42) SPHK2SPHK1MCHR1CHRNB2CHRNA5
SCHEMBL5037521 0.90 KCNH2 (0.42) SPHK2SPHK1MCHR1CHRNB2CHRNA5
SCHEMBL5040525 0.88 SPHK2 (0.53) SPHK2SPHK1
SCHEMBL5035995 0.88 SPHK2 (0.53) SPHK2SPHK1
SCHEMBL5035994 0.88 SPHK2 (0.53) SPHK2SPHK1
SCHEMBL5042856 0.85 SPHK2 (0.41) SPHK2SPHK1ACVR1
SCHEMBL6377060 0.85 SPHK2 (0.41) SPHK2SPHK1ACVR1

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 SPHK2 3483/4885SPHK1 3433/4885ACVR1 3724/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R SPHK2 3483/4885SPHK1 3433/4885ACVR1 3724/4885

“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.