SCHEMBL5341541

SCHEMBL5341541

CCCCCCC(=O)NCCc1c(-c2ccc3ccccc3c2)ccc2ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.51
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC8 Q9BY41 4/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41

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
SCHEMBL5341536 0.94 MTNR1A (0.51) MTNR1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5335473 0.89 MTNR1A (0.52) MTNR1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5342717 0.89 MTNR1A (0.51) MTNR1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5344422 0.89 MTNR1A (0.51) MTNR1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5335468 0.85 MTNR1A (0.52) MTNR1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5344418 0.85 MTNR1A (0.51) MTNR1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5342713 0.85 MTNR1A (0.51) MTNR1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL6075933 0.80 MTNR1A (0.43) MTNR1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5341535 0.79 MTNR1A (0.56) MTNR1ATRPV1ALDH1A1
SCHEMBL6075927 0.77 MTNR1A (0.43) MTNR1AHSD17B10TRPV1MEN1MAPT

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 4 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
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 388/4885NPC1 1051/4885LMNA 2117/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885NPC1 1170/4885LMNA 2153/4885

“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.

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