SCHEMBL6075535

SCHEMBL6075535

O=C(NCC1COc2ccc(O)cc2C1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
TRPV1 Q8NER1 1/20 0.42
TP53 P04637 3/20 0.40
ACLY P53396 1/20 0.40
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SPR P35270 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5344278 0.85 MTNR1A (0.72) MTNR1ATRPV1ACLYDRD3ITGB3
SCHEMBL6076003 0.81 MTNR1A (0.54) MTNR1ATRPV1TP53ACLYDRD3
SCHEMBL5229036 0.79 MTNR1A (0.74) MTNR1ATP53LMNA
SCHEMBL6075616 0.79 MTNR1A (0.45) MTNR1ATRPV1TP53ALDH1A1HSD17B10
SCHEMBL6075929 0.75 MTNR1A (0.73) MTNR1ADRD3KDM4EITGB3ITGA2B
SCHEMBL5346519 0.73 MTNR1A (0.70) MTNR1ATRPV1ACLYMTNR1BLMNA
SCHEMBL5346165 0.73 MTNR1A (0.70) MTNR1ATRPV1TP53ITGB3ITGA2B
SCHEMBL24239391 0.71 CYP4F2 (0.45) TP53DRD3LMNA
SCHEMBL24228942 0.71 CYP4F2 (0.45) TP53DRD3LMNA
SCHEMBL29516709 0.71 CYP4F2 (0.45) TP53DRD3LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US disclosed
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 EP disclosed
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 WO disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885TRPV1 2763/4885TP53 1680/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885TRPV1 2763/4885TP53 1680/4885

“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.