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SCHEMBL10114560

SCHEMBL10114560

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ccco3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ RHOA P61586 1/20 0.46
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ TAAR1 Q96RJ0 3/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ NAMPT P43490 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
SCHEMBL14424256 1.00 NPY5R (0.48) NPY5RNPC1RAB9ARHOAPTPN2
SCHEMBL10114597 0.89 RHOA (0.48) NPY5RNPC1RAB9ARHOAPTPN1
SCHEMBL14424085 0.89 RHOA (0.48) NPY5RNPC1RAB9ARHOAPTPN1
SCHEMBL14424620 0.85 TAAR1 (0.50) NPC1RAB9ARHOAPTPN2PTPN1
SCHEMBL10114572 0.85 TAAR1 (0.50) NPC1RAB9ARHOAPTPN2PTPN1
SCHEMBL13203763 0.84 NPY5R (0.54) NPY5RNPC1RAB9APTPN2PTPN1
SCHEMBL14424747 0.84 NPY5R (0.54) NPY5RNPC1RAB9APTPN2PTPN1
SCHEMBL10114466 0.84 NPY5R (0.54) NPY5RNPC1RAB9APTPN2PTPN1
SCHEMBL10113217 0.84 NPY5R (0.54) NPY5RNPC1RAB9APTPN2PTPN1
SCHEMBL10114591 0.83 NPY5R (0.52) NPY5RNPC1RAB9ARHOAKMT2A

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-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-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-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 NPY5R 1/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885NPC1 1462/4885RAB9A 3820/4885

“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.