SCHEMBL1621071

SCHEMBL1621071

[C]1OCCCC1C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9296811 0.90
SCHEMBL5571254 0.73
SCHEMBL286235 0.71 CHRM2 (0.32)
SCHEMBL625617 0.70 CHRM2 (0.34)
SCHEMBL2447834 0.62 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5378432 0.62 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3853492 0.62 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5732700 0.62
SCHEMBL3145175 0.62
SCHEMBL10316997 0.62 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP claimed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed
US-9351971-B2 Substituted 2,2′-biphenazines for treating diseases EUTROPICS PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150216862-A1 2,2'-BIPHENAZINE COMPOUNDS AND METHODS USEFUL FOR TREATING DISEASES EUTROPICS THERAPEUTICS, INC. 2015-08-06 US disclosed
US-9018212-B2 Pyridazine carboxamides as CCR2 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-28 US disclosed
US-20140323492-A1 CCR2 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
EP-2576542-A1 CCR2 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-04-10 EP disclosed
WO-2011147772-A1 CCR2 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 WO disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO 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 (4 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 ALDH1A1 2404/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2203/4885
US-20140323492-A1 CCR2 RECEPTOR ANTAGONISTS CCR2, CCRL2, CCR1 ALDH1A1 2209/4885
US-20150216862-A1 2,2'-BIPHENAZINE COMPOUNDS AND METHODS USEFUL FOR TREATING DISEASES MCL1, BCL3, BCL2L1 ALDH1A1 1106/4885

“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.