SCHEMBL6214008

SCHEMBL6214008

CS(=O)(=O)N1CC2(CCC(C(=O)O)CC2)c2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 17/20 0.50
TACR1 P25103 1/20 0.40
NOTUM Q6P988 1/20 0.40
PDE4B Q07343 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
SCHEMBL6213077 0.91 NPY5R (0.50) NPY5RTACR1NOTUM
SCHEMBL1997600 0.83 NPY5R (0.69) NPY5RTACR1
SCHEMBL1997601 0.83 NPY5R (0.69) NPY5RTACR1
Hydrochloric Acid SCHEMBL6214449 0.79 NPY5R (0.40) NPY5RTACR1NOTUMPDE4B
SCHEMBL6212928 0.78 NPY5R (0.49) NPY5R
SCHEMBL6212923 0.78 NPY5R (0.49) NPY5R
SCHEMBL6216508 0.78 NPY5R (0.49) NPY5R
SCHEMBL6216510 0.78 NPY5R (0.49) NPY5R
SCHEMBL31396139 0.75 NPY5R (0.48) NPY5RTACR1NOTUM
SCHEMBL6216136 0.70 NPY5R (0.49) NPY5R

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 9 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-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 (1 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-20020058813-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885TACR1 61/4885NOTUM 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.