SCHEMBL3685973

SCHEMBL3685973

O=C(NC1CCCCC1)c1c[nH]cn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR1 P21554 3/20 0.48
HPGD P15428 2/20 0.48
S1PR1 P21453 1/20 0.45
HSD11B1 P28845 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 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
SCHEMBL7512969 0.92 SMYD3 (0.43) ALDH1A1NPC1SMN1; SMN2L3MBTL1CNR1
SCHEMBL17396263 0.86 SMYD3 (0.52) EPHX1
SCHEMBL19701412 0.84 SMYD3 (0.54)
SCHEMBL19701413 0.84 SMYD3 (0.54)
SCHEMBL6506545 0.84 HPGD (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL17396100 0.84 PBK (0.52)
SCHEMBL20497247 0.84 PBK (0.52)
SCHEMBL19710429 0.79 SMYD3 (0.63)
SCHEMBL21489776 0.79 SMYD3 (0.63)
SCHEMBL19727276 0.78 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1HPGDEPHX1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP claimed
EP-2012775-A1 USE OF CBX CANNABINOID RECEPTOR MODULATORS AS POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-01-14 EP claimed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO claimed
WO-2007125049-A1 USE OF CBX CANNABINOID RECEPTOR MODULATORS AS POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO claimed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
EP-2442809-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2016-08-31 EP disclosed
US-7763607-B2 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2010-07-27 US disclosed
CN-101431998-A Containing CBxPharmaceutical compositions of cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN disclosed
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP disclosed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO disclosed
US-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-01 US disclosed
US-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-17 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-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC ALDH1A1 2202/4885NPC1 1315/4885RAB9A 2089/4885
US-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators CNR1, CNR2, KCNJ11 ALDH1A1 2372/4885NPC1 398/4885RAB9A 1509/4885

“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.