SCHEMBL10114919

SCHEMBL10114919

Cc1cc(OCC2CC2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.42
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR8 P51685 1/20 0.38
ACACA Q13085 1/20 0.38
GRIA2 P42262 2/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL14424389 1.00 ACACB (0.42) ACACBALDH1A1ABL1NPC1RAB9A
SCHEMBL10114616 0.85 KMT2A (0.50) ACACBALDH1A1KMT2A
SCHEMBL14424352 0.85 KMT2A (0.50) ACACBALDH1A1KMT2A
SCHEMBL10116142 0.85 THRB (0.44) ACACBNPC1RAB9ACCR8
SCHEMBL10114941 0.84 ACACB (0.36) ACACBALDH1A1RAB9AMEN1KMT2A
SCHEMBL13204434 0.84 ACACB (0.36) ACACBALDH1A1RAB9AMEN1KMT2A
SCHEMBL13564939 0.84 ACACB (0.39) ACACBACACAGRIA2
SCHEMBL17090034 0.84 ACACB (0.39) ACACBACACAGRIA2
SCHEMBL14424130 0.83 ABL1 (0.44) ACACBALDH1A1ABL1NPC1RAB9A
SCHEMBL10114914 0.83 ABL1 (0.44) ACACBALDH1A1ABL1NPC1RAB9A

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 ACACB 3152/4885ALDH1A1 4558/4885ABL1 1083/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ACACB 3070/4885ALDH1A1 4599/4885ABL1 1150/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ACACB 3095/4885ALDH1A1 4517/4885ABL1 1061/4885

“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.