SCHEMBL10116407

SCHEMBL10116407

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MCHR1 Q99705 10/20 0.47
NR1H4 Q96RI1 2/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL10116385 0.87 NR1H4 (0.55) MAPTRAB9ASMN1; SMN2NR1H4ALDH1A1
SCHEMBL10116719 0.86 MAPT (0.48) MAPTRAB9ASMN1; SMN2MCHR1NR1H4
SCHEMBL10116411 0.84 MCHR1 (0.43) MAPTSMN1; SMN2MCHR1ALDH1A1LMNA
SCHEMBL10116388 0.84 NR1H4 (0.58) MAPTRAB9ASMN1; SMN2NR1H4ALDH1A1
SCHEMBL10116356 0.83 F10 (0.53) MAPTRAB9ASMN1; SMN2NR1H4ALDH1A1
SCHEMBL10116412 0.83 MAPT (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11936030 0.82 KDM5A (0.37) MAPTRAB9AMCHR1ALDH1A1LMNA
SCHEMBL10116297 0.77 ALDH1A1 (0.57) MAPTNR1H4ALDH1A1LMNAMEN1
SCHEMBL10116355 0.77 ALDH1A1 (0.69) MAPTRAB9ASMN1; SMN2NR1H4ALDH1A1
SCHEMBL10116414 0.76 MAPT (0.49) MAPTMCHR1NR1H4ALDH1A1LMNA

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.