SCHEMBL5345810

SCHEMBL5345810

O=C(Cc1ccccc1)NCCc1cccc2ccc(NC(=O)NC3CCCCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.56
MTNR1B P49286 5/20 0.56
EPHX1 P07099 6/20 0.50
RAB9A P51151 5/20 0.50
EPHX2 P34913 4/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
CXCR3 P49682 2/20 0.48
NQO2 P16083 1/20 0.46
ACKR3 P25106 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5341399 0.79 MTNR1A (0.62) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL5342319 0.79 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL5340503 0.78 EPHX2 (0.53) EPHX1RAB9AEPHX2NPC1SMN1; SMN2
SCHEMBL5345518 0.76 MTNR1A (0.56) MTNR1AMTNR1BEPHX1RAB9AEPHX2
SCHEMBL5340676 0.75 MTNR1A (0.71) MTNR1AMTNR1BSMN1; SMN2NQO2MEN1
SCHEMBL5334945 0.74 MTNR1A (0.70) MTNR1AMTNR1BSMN1; SMN2NQO2MEN1
SCHEMBL5335200 0.74 MTNR1A (0.70) MTNR1AMTNR1BSMN1; SMN2NQO2MEN1
SCHEMBL5337569 0.74 MTNR1A (0.70) MTNR1AMTNR1BSMN1; SMN2NQO2MEN1
SCHEMBL5341352 0.74 MTNR1A (0.70) MTNR1AMTNR1BSMN1; SMN2NQO2MEN1
SCHEMBL5339601 0.74 MTNR1A (0.58) MTNR1AMTNR1BNQO2

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-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
EP-1077928-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP disclosed
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 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-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885MTNR1B 325/4885EPHX1 929/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885MTNR1B 340/4885EPHX1 1045/4885

“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.