SCHEMBL4092925

SCHEMBL4092925

Cn1cc(CCC(N)=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.64
TP53 P04637 3/20 0.59
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
GPR84 Q9NQS5 1/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 2/20 0.52
CA2 P00918 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CMA1 P23946 1/20 0.51

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
SCHEMBL28698891 0.92 KDM4E (0.67) HTR2ATP53KDM4EHSD17B10HPGD
SCHEMBL8493237 0.87 HTR2A (0.63) HTR2ATP53KDM4EHSD17B10HPGD
SCHEMBL1326755 0.86 CMA1 (0.63) HTR2ATP53KDM4EHSD17B10HPGD
SCHEMBL4573079 0.86 HTR2A (0.61) HTR2ATP53KDM4EHSD17B10HPGD
SCHEMBL21766893 0.84 HTR2A (0.64) HTR2ATP53KDM4EHSD17B10HPGD
SCHEMBL30958421 0.84 ICMT (0.62) HTR2AKDM4EKMT2AMEN1GPR84
SCHEMBL588980 0.84 ICMT (0.62) HTR2AKDM4EKMT2AMEN1GPR84
SCHEMBL1225107 0.84 TP53 (0.65) HTR2ATP53KDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL3155846 0.83 ICMT (0.60) HTR2AKDM4EKMT2AMEN1GPR84
SCHEMBL24247573 0.82 TP53 (0.67) HTR2ATP53KDM4EHSD17B10HPGD

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
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN claimed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 CN claimed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US claimed
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN disclosed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 CN disclosed
US-11149066-B2 Thrombospondin 1-binding peptide DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-10-19 US disclosed
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-04-30 US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 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 (4 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HTR2A 12/4885TP53 1464/4885KDM4E 2535/4885
US-11149066-B2 Thrombospondin 1-binding peptide SERPINC1, TEK, ARGLU1 HTR2A 4461/4885TP53 4241/4885KDM4E 4263/4885
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE SERPINC1, TEK, ARGLU1 HTR2A 4461/4885TP53 4241/4885KDM4E 4263/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HTR2A 12/4885TP53 1464/4885KDM4E 2535/4885

“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.