SCHEMBL10116670

SCHEMBL10116670

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.56
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 2/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
ADRB2 P07550 1/20 0.50
ACKR3 P25106 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
SMYD3 Q9H7B4 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ANO1 Q5XXA6 1/20 0.47

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
SCHEMBL10116668 0.90 NPC1 (0.56) HTR2BNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10116638 0.88 KMT2A (0.60) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL10116376 0.85 HTR2B (0.56) HTR2BNPC1RAB9AHPGDPKM
SCHEMBL13565362 0.85 RAB9A (0.48) HTR2BNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10116673 0.84 LMNA (0.56) RAB9AHPGDSMN1; SMN2LMNAKMT2A
SCHEMBL10116568 0.83 HPGD (0.58) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL10116704 0.83 KCNK3 (0.65) HPGDACKR3SMN1; SMN2LMNAALDH1A1
SCHEMBL10116642 0.82 KMT2A (0.50) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL10116689 0.80 F2 (0.57) NPC1RAB9AHPGDPKMSMN1; SMN2
SCHEMBL10116677 0.80 HPGD (0.57) NPC1RAB9AHPGDSMN1; SMN2LMNA

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 HTR2B 246/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTR2B 235/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTR2B 242/4885NPC1 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.