SCHEMBL6076592

SCHEMBL6076592

CCCNC(=O)NCCC1=COc2ccc(N(C)Cc3ccccc3)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
PTGES O14684 1/20 0.36
EPHX1 P07099 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESRRG P62508 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
OPRM1 P35372 2/20 0.34
POLB P06746 1/20 0.34
OPRL1 P41146 1/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PABPC1 P11940 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7203724 0.79 MTNR1A (0.72) MTNR1AEPHX1NPC1RAB9APABPC1
SCHEMBL7854658 0.79 RAB9A (0.49) MTNR1AEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL5349885 0.77 MTNR1A (0.51) MTNR1ANPC1RAB9ASMN1; SMN2PABPC1
SCHEMBL7098613 0.69 MTNR1A (0.40) MTNR1AMAPT
SCHEMBL7199016 0.68 MTNR1A (0.64) MTNR1ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7203743 0.66 MTNR1A (1.00) MTNR1AMEN1KMT2A
SCHEMBL7101195 0.64 MTNR1A (0.40) MTNR1AMAPT
SCHEMBL13764965 0.63 MCHR1 (0.53) MTNR1AEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL6075745 0.62 MTNR1A (0.39) MTNR1ANPC1RAB9ASMN1; SMN2PABPC1
SCHEMBL1134902 0.62 EPHX1 (0.71) EPHX1SMN1; SMN2POLBMAPT

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 5 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

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 465/4885SLC16A3 1975/4885SLC16A1 2923/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885SLC16A3 1975/4885SLC16A1 2923/4885

“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.