SCHEMBL2818002

SCHEMBL2818002

CN(C)/C=N/c1cc(C(C)(C)C)nn1CC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
HTR2C P28335 5/20 0.38
SLC6A4 P31645 5/20 0.38
HTR2A P28223 1/20 0.37
PDE8B O95263 6/20 0.36
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2818007 1.00 CNR2 (0.39) CNR2HTR2CSLC6A4HTR2APDE8B
SCHEMBL2815443 0.82
SCHEMBL2815165 0.82
SCHEMBL2815163 0.82
SCHEMBL2812486 0.77 PDE8B (0.44) CNR2PDE8B
SCHEMBL2817824 0.73 CNR2 (0.44) CNR2PDE8BALDH1A1KDM4E
SCHEMBL283424 0.73 CNR2 (0.44) CNR2PDE8BALDH1A1KDM4E
SCHEMBL283425 0.73 CNR2 (0.44) CNR2PDE8BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2677549 0.72 CNR2 (0.44) CNR2PDE8BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2677546 0.72 CNR2 (0.44) CNR2PDE8BALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-2219629-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 US disclosed
WO-2009048936-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-16 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 (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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885HTR2C 125/4885SLC6A4 1075/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885HTR2C 59/4885SLC6A4 989/4885

“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.