SCHEMBL5033436

SCHEMBL5033436

Cc1cc(N2CCCC2CO)c2ccc(OCc3cccnc3Cl)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
SPHK2 Q9NRA0 6/20 0.40
SPHK1 Q9NYA1 5/20 0.40
ACVR1 Q04771 1/20 0.38
CNR2 P34972 1/20 0.36
ADAM17 P78536 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 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
SCHEMBL5033427 1.00 FFAR1 (0.41) FFAR1SPHK2SPHK1ACVR1CNR2
SCHEMBL5040739 0.91 RAB9A (0.38) FFAR1ADAM17ADORA2AADORA1
SCHEMBL5040736 0.91 RAB9A (0.38) FFAR1ADAM17ADORA2AADORA1
Hydrochloric Acid SCHEMBL6370382 0.90 RAB9A (0.38) FFAR1ADAM17ADORA2AADORA1
Hydrochloric Acid SCHEMBL6370389 0.90 RAB9A (0.38) FFAR1ADAM17ADORA2AADORA1
SCHEMBL5036317 0.90 SPHK2 (0.39) FFAR1SPHK2SPHK1ACVR1ADAM17
SCHEMBL5036321 0.90 SPHK2 (0.39) FFAR1SPHK2SPHK1ACVR1ADAM17
SCHEMBL5486309 0.87 CCNE2 (0.41) FFAR1SPHK2SPHK1ACVR1CNR2
SCHEMBL5486312 0.87 CCNE2 (0.41) FFAR1SPHK2SPHK1ACVR1CNR2
SCHEMBL6374830 0.84 MAOB (0.42) FFAR1SPHK2SPHK1ACVR1ADAM17

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 FFAR1 274/4885SPHK2 3483/4885SPHK1 3433/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R FFAR1 274/4885SPHK2 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.