SCHEMBL6075810

SCHEMBL6075810

CC1CN(c2ccc3cccc(CC(=O)NCC4CC4)c3c2)CC(C)N1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.44
MTNR1A P48039 2/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5350775 0.77 MTNR1A (0.51) MTNR1ANPC1KDM4EMEN1KMT2A
SCHEMBL5349751 0.76 MTNR1A (0.43) MTNR1ANPC1KDM4EMEN1KMT2A
SCHEMBL5341959 0.76 MEN1 (0.47) MTNR1ANPC1KDM4EMEN1KMT2A
SCHEMBL8693941 0.76 MTNR1A (0.62) MTNR1AKDM4EALDH1A1
SCHEMBL5343073 0.72 MTNR1A (0.45) MTNR1ANPC1ALDH1A1
SCHEMBL24821344 0.70 NPC1 (0.54) NPC1KMT2A
SCHEMBL6076617 0.69 CCNA2 (0.37) MTNR1ANPC1MAPTALDH1A1
SCHEMBL6075924 0.68 MTNR1A (0.48) GHSRMTNR1A
SCHEMBL6078099 0.67 CCNA2 (0.36) MTNR1ANPC1KDM4EMAPTALDH1A1
SCHEMBL8693024 0.64 MTNR1A (0.65) MTNR1A

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 7 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
EP-1077927-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US 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-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 GHSR 1025/4885MTNR1A 465/4885NPC1 2639/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR GHSR 1025/4885MTNR1A 465/4885NPC1 2639/4885

“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.