SCHEMBL131789

SCHEMBL131789

[CH2]c1ccnc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
AR P10275 1/20 0.46
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 4/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
LCK P06239 1/20 0.43
ACACB O00763 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41

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
SCHEMBL30800091 0.82 ALDH1A1 (0.54) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL127698 0.81 CYP1A2 (0.50) ALDH1A1MAPK1KDM4EGABRPGABRD
SCHEMBL70350 0.79 KDM4E (0.62) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL163424 0.79 ALDH1A1 (0.51) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL30065796 0.79 KDM4E (0.62) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL850841 0.79 ALDH1A1 (0.51) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL131790 0.79 ALDH1A1 (0.51) ALDH1A1ARMAPK1KDM4EKDM6B
SCHEMBL2643035 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EKDM6BKDM5CKDM4C
SCHEMBL1336313 0.78 ALDH1A1 (0.50) ALDH1A1ARMAPK1KDM4EKDM6B
Hydrochloric Acid SCHEMBL22533152 0.78 ALDH1A1 (0.50) ALDH1A1ARMAPK1KDM4EKDM6B

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112352-A1 OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2017-01-04 EP claimed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP claimed
CN-1950342-A Novel compounds as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2007-04-18 CN claimed
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
EP-3112352-B1 OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-21 EP disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-2653465-A1 Opioid receptor modulators Janssen Pharmaceutica NV (BE) 2013-10-23 EP disclosed
EP-2298744-B1 Opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-06-26 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-2573068-A1 Process for preparing intermediates of compounds useful as opioid receptor modulators Janssen Pharmaceutica NV (BE) 2013-03-27 EP disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP disclosed
EP-2298744-A2 Opioid receptor modulators Janssen Pharmaceutica NV (BE) 2011-03-23 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 ALDH1A1 2079/4885AR 1819/4885MAPK1 2411/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ALDH1A1 580/4885AR 1994/4885MAPK1 3503/4885

“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.