SCHEMBL10030470

SCHEMBL10030470

c1cc2cc(COCN3CCC3)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
SIGMAR1 Q99720 2/20 0.44
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
ROCK2 O75116 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MCHR1 Q99705 1/20 0.36
PDE10A Q9Y233 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 1/20 0.35
ENPP1 P22413 1/20 0.34

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
SCHEMBL13293667 0.76 SMN1; SMN2 (0.54) CYP2A6OPRM1OPRK1ROCK2MCHR1
SCHEMBL2962869 0.73 CYP2A6 (0.53) CYP2A6SIGMAR1ROCK2HCRTR1HCRTR2
SCHEMBL3144878 0.72 CYP2A6 (0.59) CYP2A6SIGMAR1HCRTR1HCRTR2MRGPRX4
SCHEMBL5547137 0.68 CYP2A6 (0.54) CYP2A6SIGMAR1HCRTR1HCRTR2MRGPRX4
SCHEMBL11517673 0.68 CYP2A6 (0.50) CYP2A6SIGMAR1ROCK2MCHR1
SCHEMBL3480315 0.68 CA2 (0.54) CYP2A6MCHR1SLC6A4SLC6A3SLC6A2
SCHEMBL30128338 0.68 LTA4H (0.56) SIGMAR1SLC6A3
SCHEMBL22415759 0.67 SIGMAR1 (0.51) CYP2A6SIGMAR1OPRM1OPRK1ROCK2
SCHEMBL10368304 0.67 SIGMAR1 (0.51) CYP2A6SIGMAR1MRGPRX4PDE10ASLC6A4
SCHEMBL2091182 0.66 CYP2A6 (0.61) CYP2A6SIGMAR1OPRM1OPRK1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039744-B2 Post nerve injury rehabilitation effect-enhancing agent comprising alkyl ether derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2018-08-07 US disclosed
US-20180153855-A1 SIGMA RECEPTOR-BINDING AGENT TOYAMA CHEMICAL CO., LTD. (JP) 2018-06-07 US disclosed
US-20170165227-A1 POST NERVE INJURY REHABILITATION EFFECT-ENHANCING AGENT COMPRISING ALKYL ETHER DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-8173633-B2 Protein kinase C activity enhancer containing alkyl ether derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-05-08 US disclosed
US-8119625-B2 Neurogenesis inducer or neuropathy therapeutic agent comprising alkyl ether derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-02-21 US disclosed
US-20110245228-A1 PROTEIN KINASE C ACTIVITY ENHANCER CONTAINING ALKYL ETHER DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-10-06 US disclosed
US-8026232-B2 Benzothiophene oxide derivative and salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-09-27 US disclosed
US-20110077413-A1 NOVEL BENZOTHIOPHENE OXIDE DERIVATIVE AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-03-31 US disclosed
US-20100184997-A1 PROTEIN KINASE C ACTIVITY ENHANCER CONTAINING ALKYL ETHER DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-22 US disclosed
US-20090209512-A1 NEUROGENESIS INDUCER OR NEUROPATHY THERAPEUTIC AGENT COMPRISING ALKYL ETHER DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-20090093453-A1 NEUROGENESIS INDUCER OR NEUROPATHY THERAPEUTIC AGENT COMPRISING ALKYL ETHER DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD (JP) 2009-04-09 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 (8 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-20100184997-A1 PROTEIN KINASE C ACTIVITY ENHANCER CONTAINING ALKYL ETHER DERIVATIVE OR SALT THEREOF PRKCH, PRKCA, PRKCB CYP2A6 4551/4885SIGMAR1 3434/4885OPRM1 3599/4885
US-10039744-B2 Post nerve injury rehabilitation effect-enhancing agent comprising alkyl ether derivative or salt thereof NGF, BDNF, NTRK2 CYP2A6 4147/4885SIGMAR1 782/4885OPRM1 1091/4885
US-20180153855-A1 SIGMA RECEPTOR-BINDING AGENT SIGMAR1, OPRM1, TMEM97 CYP2A6 418/4885SIGMAR1 1/4885OPRM1 2/4885
US-20090093453-A1 NEUROGENESIS INDUCER OR NEUROPATHY THERAPEUTIC AGENT COMPRISING ALKYL ETHER DERIVATIVE OR SALT THEREOF NGF, GAP43, BDNF CYP2A6 3976/4885SIGMAR1 2156/4885OPRM1 1130/4885
US-20170165227-A1 POST NERVE INJURY REHABILITATION EFFECT-ENHANCING AGENT COMPRISING ALKYL ETHER DERIVATIVE OR SALT THEREOF NGF, BDNF, NTRK2 CYP2A6 4147/4885SIGMAR1 782/4885OPRM1 1091/4885
US-20090209512-A1 NEUROGENESIS INDUCER OR NEUROPATHY THERAPEUTIC AGENT COMPRISING ALKYL ETHER DERIVATIVE OR SALT THEREOF NGF, GAP43, BDNF CYP2A6 3976/4885SIGMAR1 2156/4885OPRM1 1130/4885
US-20110245228-A1 PROTEIN KINASE C ACTIVITY ENHANCER CONTAINING ALKYL ETHER DERIVATIVE OR SALT THEREOF PRKCH, PRKCA, PRKCB CYP2A6 4551/4885SIGMAR1 3434/4885OPRM1 3599/4885
US-20110077413-A1 NOVEL BENZOTHIOPHENE OXIDE DERIVATIVE AND SALT THEREOF TH, EBPL, IL4I1 CYP2A6 532/4885SIGMAR1 1057/4885OPRM1 681/4885

“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.