SCHEMBL283425

SCHEMBL283425

CC(C)(C)c1cc(N)n(CC2CCCO2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
PIK3CA P42336 1/20 0.41
PDE8B O95263 7/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL283424 1.00 CNR2 (0.44) CNR2ALDH1A1TSHRPIK3CAPDE8B
SCHEMBL2817824 1.00 CNR2 (0.44) CNR2ALDH1A1TSHRPIK3CAPDE8B
Hydrochloric Acid SCHEMBL2677549 0.99 CNR2 (0.44) CNR2ALDH1A1TSHRPIK3CAPDE8B
Hydrochloric Acid SCHEMBL2677546 0.99 CNR2 (0.44) CNR2ALDH1A1TSHRPIK3CAPDE8B
SCHEMBL2812486 0.96 PDE8B (0.44) CNR2PDE8B
SCHEMBL21960368 0.82 PIK3CA (0.46) ALDH1A1TSHRPIK3CAPDE8BEPHX2
SCHEMBL2810914 0.80 KDM4E (0.35) KDM4E
SCHEMBL478430 0.80 KDM4E (0.35) KDM4E
SCHEMBL477807 0.79 KDM4E (0.33) CNR2KDM4E
SCHEMBL21960381 0.79 TSHR (0.44) ALDH1A1TSHRPIK3CAPDE8BEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
EP-2331516-B1 IMINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LAB (US) 2013-03-13 EP disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-8173687-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-08 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
CN-102123993-A Imine derivatives as cannabinoid receptor ligands ABBOTT LAB 2011-07-13 CN disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100041720-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-02-18 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-20100041720-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885ALDH1A1 2542/4885TSHR 423/4885
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885ALDH1A1 1940/4885TSHR 364/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885ALDH1A1 1940/4885TSHR 364/4885

“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.