SCHEMBL10114017

SCHEMBL10114017

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
NPC1 O15118 3/20 0.71
MAPT P10636 3/20 0.71
RAB9A P51151 3/20 0.71
CYP1A2 P05177 2/20 0.54
MAPK14 Q16539 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAOA P21397 1/20 0.49
CASP3 P42574 1/20 0.48
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PARG Q86W56 1/20 0.46

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
SCHEMBL10113215 0.86 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL13203760 0.86 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL10114454 0.85 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL14627682 0.85 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL10114437 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9178262 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL10114839 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL13204345 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL10114697 0.83 MAPT (0.56) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL13204268 0.83 MAPT (0.56) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A

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 ALDH1A1 4558/4885SMN1; SMN2 2213/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885SMN1; SMN2 2197/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885SMN1; SMN2 2251/4885NPC1 1462/4885

“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.