SCHEMBL10115014

SCHEMBL10115014

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.53
RHOA P61586 3/20 0.46
AAK1 Q2M2I8 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3A P49840 1/20 0.44
KCNH2 Q12809 1/20 0.43
ACSS2 Q9NR19 2/20 0.42
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13204447 1.00 GRIA2 (0.53) GRIA2RHOAAAK1GAALMNA
SCHEMBL10114572 0.89 TAAR1 (0.50) GRIA2RHOACDK2GSK3APTPN1
SCHEMBL14424620 0.89 TAAR1 (0.50) GRIA2RHOACDK2GSK3APTPN1
SCHEMBL14424085 0.86 RHOA (0.48) RHOAGAALMNAUSP2HPGD
SCHEMBL10114597 0.86 RHOA (0.48) RHOAGAALMNAUSP2HPGD
SCHEMBL14424387 0.84 GSK3A (0.45) GRIA2AAK1CDK2GSK3AKDM4E
SCHEMBL10114934 0.84 GSK3A (0.45) GRIA2AAK1CDK2GSK3AKDM4E
SCHEMBL10116158 0.84 KMT2A (0.50) GRIA2RHOALMNAHPGDHTT
SCHEMBL17090203 0.81 GRIA2 (0.45) GRIA2KCNH2
SCHEMBL13565469 0.81 GRIA2 (0.45) GRIA2KCNH2

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 6 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (1 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 334/4885RHOA 3456/4885AAK1 3539/4885

“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.