SCHEMBL5340496

SCHEMBL5340496

Nc1cnc2[nH]cc(CCNC(=O)C3CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.55
MTNR1A P48039 9/20 0.51
MTNR1B P49286 5/20 0.51
ALDH1A1 P00352 1/20 0.51
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
HTR1A P08908 2/20 0.43
HTR1B P28222 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5339908 0.87 SPR (0.65) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5335667 0.86 SPR (0.55) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5339464 0.86 SPR (0.55) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5342288 0.83 MTNR1A (0.70) SPRMTNR1AMTNR1BALDH1A1HTR1A
SCHEMBL6076414 0.82 SPR (0.60) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5341340 0.80 MTNR1A (0.56) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5335786 0.80 SPR (0.49) SPRMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL6745683 0.79 MTNR1A (0.56) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL27525263 0.78 MTNR1A (0.69) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL7021034 0.78 MTNR1A (0.52) SPRMTNR1AMTNR1BALDH1A1BCHE

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 SPR 2722/4885MTNR1A 388/4885MTNR1B 325/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R SPR 2609/4885MTNR1A 409/4885MTNR1B 340/4885

“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.