SCHEMBL6216696

SCHEMBL6216696

NS(=O)(=O)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.52
AKT1 P31749 5/20 0.44
NOTUM Q6P988 2/20 0.40
ACLY P53396 1/20 0.40
P2RY1 P47900 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
Hydrochloric Acid SCHEMBL6216011 0.99 NPY5R (0.51) NPY5RAKT1NOTUMACLYP2RY1
SCHEMBL38332 0.85 NPY5R (0.55) NPY5RNOTUM
SCHEMBL30051797 0.85 NPY5R (0.55) NPY5RNOTUM
Hydrochloric Acid SCHEMBL7123289 0.84 NPY5R (0.54) NPY5RNOTUM
Hydrochloric Acid SCHEMBL2888051 0.84 NPY5R (0.54) NPY5RNOTUM
SCHEMBL6808219 0.83 CYP3A4 (0.47) NPY5RAKT1ACLY
SCHEMBL737327 0.83 NPY5R (0.50) NPY5RAKT1NOTUM
SCHEMBL6543355 0.82 NPY5R (0.42) NPY5RAKT1NOTUMACLYP2RY1
Hydrochloric Acid SCHEMBL6215349 0.82 NPY5R (0.49) NPY5RAKT1NOTUM
SCHEMBL15007552 0.80 AKT1 (0.49) AKT1NOTUMP2RY1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129089-B1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-12-28 EP disclosed
US-20040063942-A1 Spiro-indolines as Y5 receptor antagonists MERCK & CO., INC. 2004-04-01 US disclosed
US-6638942-B1 Useful in the treatment of obesity and the complications associated therewith. MERCK & CO., INC. 2003-10-28 US disclosed
EP-1129089-A4 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-22 EP disclosed
US-6495559-B2 FOR THERAPY OF OBESITY MERCK & CO., INC. 2002-12-17 US disclosed
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists MSD K.K. (JP) 2002-05-16 US disclosed
US-6313298-B1 OBESITY, DIETETICS; NEUROPEPTIDE Y ANTAGONISTS MERCK & CO., INC. 2001-11-06 US disclosed
EP-1129089-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-09-05 EP disclosed
US-6191160-B1 DIETETICS MERCK & CO., INC. 2001-02-20 US disclosed
WO-2000027845-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO 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-20040063942-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885AKT1 3370/4885NOTUM 1726/4885
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885AKT1 3350/4885NOTUM 1807/4885

“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.