SCHEMBL10114264

SCHEMBL10114264

CCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3nc(C)ccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ GBA1 P04062 3/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ JAK1 P23458 1/20 0.38

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
SCHEMBL13203762 0.90 NPY5R (0.50) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10113218 0.90 NPY5R (0.50) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL13565103 0.82 MET (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10114027 0.82 NPC1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10114848 0.78 NPC1 (0.53) KMT2ANPC1RAB9AKDM4EPOLB
SCHEMBL14424368 0.78 NPC1 (0.53) KMT2ANPC1RAB9AKDM4EPOLB
SCHEMBL14424375 0.77 NPY5R (0.58) MEN1KMT2AKDM4EEPHX2NPY5R
SCHEMBL10114879 0.77 NPY5R (0.58) MEN1KMT2AKDM4EEPHX2NPY5R
SCHEMBL10113221 0.75 EPHX2 (0.58) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13203772 0.75 EPHX2 (0.58) MEN1KMT2ANPC1RAB9APOLB

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 MEN1 2876/4885KMT2A 2912/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885NPC1 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.

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