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Sugi Predict / Compounds / SCHEMBL10113697

SCHEMBL10113697

SCHEMBL10113697

COc1ccc(N2CCN(c3ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc3)CC2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.50
▸ HTR1A P08908 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ HTR7 P34969 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CACNA1G O43497 1/20 0.44
▸ F2 P00734 1/20 0.43

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
SCHEMBL10113408 0.87 MAPT (0.50) MAPTHTR1AKDM4ENPC1RAB9A
SCHEMBL10115378 0.86 NPC1 (0.56) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL13564796 0.85 HTR1A (0.46) MAPTHTR1AKDM4ENPC1RAB9A
SCHEMBL10113695 0.85 MAPT (0.55) MAPTHTR1AKDM4ENPC1RAB9A
SCHEMBL10113693 0.85 KDM4E (0.54) MAPTHTR1AKDM4ENPC1RAB9A
SCHEMBL10113690 0.85 GAA (0.59) MAPTHTR1AKDM4ENPC1RAB9A
SCHEMBL10113674 0.84 SMN1; SMN2 (0.59) MAPTHTR1AKDM4ENPC1RAB9A
SCHEMBL10115263 0.83 MAPT (0.54) MAPTHTR1AKDM4ENPC1RAB9A
SCHEMBL10113669 0.83 ALDH1A1 (0.59) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL10115256 0.82 KDM4E (0.50) MAPTHTR1AKDM4ENPC1RAB9A

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 MAPT 3602/4885HTR1A 302/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885HTR1A 300/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885HTR1A 296/4885KDM4E 1653/4885

“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.