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SCHEMBL10115046

SCHEMBL10115046

CC(C)[C@@H]1CN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 11/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10133453 1.00 CNR1 (0.43) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL10133259 0.89 CNR1 (0.44) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL10115299 0.89 CNR1 (0.44) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL10134470 0.88 CNR1 (0.45) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13565139 0.86 TRPA1 (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2CNR2
SCHEMBL17090271 0.86 TRPA1 (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2CNR2
SCHEMBL10113387 0.85 CNR1 (0.58) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL10113487 0.81 MCHR1 (0.46) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL10113400 0.81 GAA (0.59) ALDH1A1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL10113464 0.81 NAMPT (0.46) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2

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
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R CNR1 13/4885ALDH1A1 4558/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR1 15/4885ALDH1A1 4599/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR1 13/4885ALDH1A1 4517/4885KDM4E 1653/4885

“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.