SCHEMBL1990398

SCHEMBL1990398

CC(C)(C)OC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 9/20 0.59
CPT2 P23786 4/20 0.59
CPT1B Q92523 3/20 0.59
GRM5 P41594 9/20 0.57

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
SCHEMBL1990400 1.00 CPT1A (0.59) CPT1ACPT2CPT1BGRM5
SCHEMBL4954645 0.97 HCRTR1 (0.56) CPT1ACPT2CPT1BGRM5
SCHEMBL4954639 0.97 HCRTR1 (0.56) CPT1ACPT2CPT1BGRM5
SCHEMBL17457434 0.94 HCRTR1 (0.54) CPT1ACPT2CPT1BGRM5
SCHEMBL17457435 0.94 HCRTR1 (0.54) CPT1ACPT2CPT1BGRM5
SCHEMBL16934121 0.92 CPT1A (0.52) CPT1ACPT2CPT1BGRM5
SCHEMBL16934120 0.92 CPT1A (0.52) CPT1ACPT2CPT1BGRM5
SCHEMBL19400901 0.90 GRM5 (0.59) GRM5
SCHEMBL5329277 0.89 GRM5 (0.74) GRM5
SCHEMBL3551820 0.89 CPT1A (0.67) CPT1ACPT2CPT1BGRM5

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-2275105-B1 Heterocyclic derivatives as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-05 EP disclosed
EP-2275105-B1 Heterocyclic derivatives as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-05 EP disclosed
EP-1499313-B1 HETEROCYCLIC DERIVATIVES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-29 EP disclosed
EP-1499313-B1 HETEROCYCLIC DERIVATIVES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-29 EP disclosed
EP-2275105-A1 Heterocyclic derivatives as opioid receptor modulators Janssen Pharmaceutica NV (BE) 2011-01-19 EP disclosed
US-7659402-B2 use as pain relievers, gastrointestinal disorders; 2-Amino-3-aryl-1-[3-((hetero)aryl)piperidin-1-yl]-propan-1-one compounds JANSSEN PHARMACEUTICA, NV (BE) 2010-02-09 US disclosed
US-7659402-B2 use as pain relievers, gastrointestinal disorders; 2-Amino-3-aryl-1-[3-((hetero)aryl)piperidin-1-yl]-propan-1-one compounds JANSSEN PHARMACEUTICA, NV (BE) 2010-02-09 US disclosed
US-7659402-B2 use as pain relievers, gastrointestinal disorders; 2-Amino-3-aryl-1-[3-((hetero)aryl)piperidin-1-yl]-propan-1-one compounds JANSSEN PHARMACEUTICA, NV (BE) 2010-02-09 US disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 US disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 US disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 US disclosed
US-7041681-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-09 US disclosed
US-20060030558-A1 Novel compounds as opioid receptor modulators BRESLIN HENRY J 2006-02-09 US disclosed
US-20050187252-A1 2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-phenyl-oxazol-2-yl)-piperidin-1-yl]-propan-1-one; pain and gastrointestinal disorders BRESLIN HENRY J (US) 2005-08-25 US disclosed
US-20040010014-A1 Novel compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2004-01-15 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 (3 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-20060030558-A1 Novel compounds as opioid receptor modulators OPRL1, OPRK1, OPRM1 CPT1A 1124/4885CPT2 3330/4885CPT1B 1396/4885
US-20050187252-A1 2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-phenyl-oxazol-2-yl)-piperidin-1-yl]-propan-1-one; pain and gastrointestinal disorders OPRL1, OPRK1, OPRD1 CPT1A 1145/4885CPT2 2960/4885CPT1B 1347/4885
US-20040010014-A1 Novel compounds as opioid receptor modulators OPRL1, OPRK1, OPRM1 CPT1A 1124/4885CPT2 3330/4885CPT1B 1396/4885

“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.