SCHEMBL10114914

SCHEMBL10114914

Cc1cc(OC2CCCC2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
CCR8 P51685 1/20 0.42
HRH3 Q9Y5N1 6/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ACACB O00763 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14424130 1.00 ABL1 (0.44) ABL1CCR8HRH3PTGS1PTGS2
SCHEMBL10116146 0.84 HRH3 (0.44) CCR8HRH3PTGS1PTGS2ACACB
SCHEMBL10114618 0.84 ENPP3 (0.51) ACACBPOLB
SCHEMBL14424355 0.84 ENPP3 (0.51) ACACBPOLB
SCHEMBL14424383 0.83 ENPP3 (0.53) ABL1POLB
SCHEMBL10114920 0.83 ENPP3 (0.53) ABL1POLB
SCHEMBL14424389 0.83 ACACB (0.42) ABL1CCR8ALDH1A1ACACBNPC1
SCHEMBL10114919 0.83 ACACB (0.42) ABL1CCR8ALDH1A1ACACBNPC1
SCHEMBL10114582 0.83 POLB (0.47) ABL1ALDH1A1POLBGAA
SCHEMBL14424357 0.83 POLB (0.47) ABL1ALDH1A1POLBGAA

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 ABL1 1083/4885CCR8 429/4885HRH3 417/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ABL1 1150/4885CCR8 394/4885HRH3 458/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ABL1 1061/4885CCR8 484/4885HRH3 421/4885

“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.