SCHEMBL6077227

SCHEMBL6077227

CCc1cc(CCNC(=O)NC2CCCCC2)c2cc(SCC(C)C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
EPHX1 P07099 10/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR2C P28335 1/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL6076328 0.83 MTNR1A (0.52) MTNR1AEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL6077072 0.82 EPHX1 (0.58) MTNR1AEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL8961071 0.81 MTNR1A (0.70) MTNR1AEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL6076553 0.79 EPHX1 (0.53) MTNR1AEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL8961037 0.75 MTNR1A (0.74) MTNR1AHTR2C
SCHEMBL8961161 0.70 MTNR1A (0.69) MTNR1AEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL8961100 0.69 MTNR1A (0.70) MTNR1AEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL6076375 0.69 MTNR1A (0.47) MTNR1AEPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL8961160 0.67 MTNR1A (0.73) MTNR1AHTR2C
SCHEMBL8961302 0.67 MTNR1A (0.90) MTNR1AKDM4EALDH1A1HTR2C

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-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
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 (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-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885EPHX1 613/4885MEN1 2067/4885

“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.