SCHEMBL5339038

SCHEMBL5339038

CCCC(=O)NCC1=Cc2c(ccc3c2C=CC(C(C)C)NC3=O)OC1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL6076214 0.76 SMN1; SMN2 (0.33) KMT2ACYP3A4CYP2C19L3MBTL1MEN1
SCHEMBL6075644 0.75 CYP3A4 (0.35) KMT2ACYP3A4CYP2C19L3MBTL1MEN1
SCHEMBL5338371 0.70 CYP3A4 (0.43) CYP3A4CYP2C19L3MBTL1MTNR1AMTNR1B
SCHEMBL5341910 0.69 MTNR1A (0.44) CYP3A4CYP2C19L3MBTL1MTNR1A
SCHEMBL6077215 0.69 ALOX5 (0.43) KMT2ACYP3A4CYP2C19L3MBTL1MEN1
SCHEMBL5344350 0.69 MTNR1A (0.41) CYP3A4CYP2C19L3MBTL1MTNR1A
SCHEMBL7201684 0.68 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL6075940 0.63 MTNR1A (0.36) KMT2ACYP3A4CYP2C19L3MBTL1MEN1
SCHEMBL5351838 0.57 ALOX5 (0.44) MTNR1AMTNR1B
SCHEMBL5336707 0.56 ALOX5 (0.44) MTNR1AMTNR1B

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 KMT2A 3209/4885CYP3A4 14/4885CYP2C19 23/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R KMT2A 3174/4885CYP3A4 15/4885CYP2C19 29/4885

“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.