SCHEMBL6077072

SCHEMBL6077072

CCc1cc(CCNC(=O)NC2CCCCC2)c2cc(Cl)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.58
MTNR1A P48039 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
EPHX2 P34913 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
PPARG P37231 2/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCC9 O60706 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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 0.89 MTNR1A (0.52) EPHX1MTNR1ANPC1RAB9ATSHR
SCHEMBL8961071 0.86 MTNR1A (0.70) EPHX1MTNR1ANPC1RAB9ASMN1; SMN2
SCHEMBL6077227 0.82 MTNR1A (0.46) EPHX1MTNR1ANPC1RAB9ATSHR
SCHEMBL8961037 0.80 MTNR1A (0.74) MTNR1A
SCHEMBL8961161 0.75 MTNR1A (0.69) EPHX1MTNR1ANPC1RAB9ATSHR
SCHEMBL12196174 0.75 EPHX1 (1.00) EPHX1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL8961100 0.74 MTNR1A (0.70) EPHX1MTNR1ANPC1RAB9ASMN1; SMN2
SCHEMBL27553211 0.73 ALDH1A1 (0.42) MTNR1ARAB9ATSHRMEN1KMT2A
SCHEMBL6076553 0.72 EPHX1 (0.53) EPHX1MTNR1ANPC1RAB9ATSHR
SCHEMBL8961302 0.71 MTNR1A (0.90) MTNR1AALDH1A1KDM4E

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
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-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 EPHX1 613/4885MTNR1A 465/4885NPC1 2639/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR EPHX1 613/4885MTNR1A 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.