SCHEMBL2817627

SCHEMBL2817627

Cc1c(Br)cccc1C(=O)N=c1cc(C(C)(C)C)n(C)n1C[C@H]1CCCO1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.60
CNR1 P21554 7/20 0.58
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TNF P01375 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
NOD2 Q9HC29 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOD1 Q9Y239 1/20 0.42

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
SCHEMBL2817624 1.00 CNR2 (0.60) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL16581429 0.90 CNR2 (0.60) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL16581428 0.90 CNR2 (0.60) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL2817464 0.90 CNR2 (0.61) CNR2CNR1ALDH1A1
SCHEMBL2817463 0.90 CNR2 (0.61) CNR2CNR1ALDH1A1
SCHEMBL2814239 0.90 CNR2 (0.64) CNR2CNR1ALDH1A1
SCHEMBL2814242 0.90 CNR2 (0.64) CNR2CNR1ALDH1A1
SCHEMBL13990074 0.86 CNR2 (0.76) CNR2CNR1
SCHEMBL2813573 0.85 CNR2 (0.65) CNR2CNR1
SCHEMBL2813576 0.85 CNR2 (0.65) CNR2CNR1

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 5 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
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 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 (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 2/4885CNR1 1/4885KDM4E 1901/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885KDM4E 1939/4885

“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.