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SCHEMBL10115071

SCHEMBL10115071

CC(CCC(=O)Nc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1)CNS(=O)(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CACNA1G O43497 3/20 0.43
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 5/20 0.40
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 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
SCHEMBL10114846 0.90 ALDH1A1 (0.44) ALDH1A1KMT2ACACNA1GLMNAMAPT
SCHEMBL12882343 0.88 CCR1 (0.38) MAPTDRD2OPRM1ADRA2AADRA2B
SCHEMBL13565138 0.85 CCR1 (0.42) DRD2
SCHEMBL10114449 0.85 CACNA1G (0.49) ALDH1A1KMT2ACACNA1GMAPK1DRD2
SCHEMBL13565141 0.81 CCR1 (0.41) MAPTDRD2
SCHEMBL10114452 0.78 CACNA1G (0.49) ALDH1A1KMT2ACACNA1GLMNAMAPT
SCHEMBL12882823 0.78 MCHR1 (0.38) KMT2ADRD2DRD4
SCHEMBL10114802 0.78 ALDH1A1 (0.41) ALDH1A1KMT2ACACNA1GLMNAMAPT
SCHEMBL13564873 0.76 CCR1 (0.47) DRD2
SCHEMBL10115629 0.76 CA12 (0.48) LMNAMAPTGAACA1CA2

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 8 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-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-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 (2 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 4558/4885KMT2A 2912/4885CACNA1G 1329/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885CACNA1G 1132/4885

“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.