SCHEMBL10116719

SCHEMBL10116719

Cc1cc(OCC2CC2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MCHR1 Q99705 15/20 0.48
NR1H4 Q96RI1 1/20 0.46
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10116686 0.87 NR1H4 (0.55) RAB9ASMN1; SMN2NR1H4MEN1ALDH1A1
SCHEMBL10116407 0.86 MAPT (0.48) MAPTRAB9ASMN1; SMN2MCHR1NR1H4
SCHEMBL10116720 0.84 MCHR1 (0.43) MAPTSMN1; SMN2MCHR1NR1H4ALDH1A1
SCHEMBL10116696 0.84 NR1H4 (0.58) MAPTRAB9ASMN1; SMN2NR1H4MEN1
SCHEMBL10116725 0.83 MAPT (0.43) MAPTRAB9ASMN1; SMN2MCHR1MEN1
SCHEMBL13566063 0.82 ADRB2 (0.37) L3MBTL1
SCHEMBL10116728 0.78 MAPT (0.46) MAPTMCHR1NR1H4MEN1ALDH1A1
SCHEMBL14424389 0.77 ACACB (0.42) RAB9AMEN1ALDH1A1KMT2A
SCHEMBL10114919 0.77 ACACB (0.42) RAB9AMEN1ALDH1A1KMT2A
SCHEMBL10115462 0.76 ALDH1A1 (0.40) MAPTRAB9ASMN1; SMN2MCHR1MEN1

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 11 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-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 MAPT 3602/4885RAB9A 3699/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885RAB9A 3651/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885RAB9A 3820/4885SMN1; SMN2 2251/4885

“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.