SCHEMBL477885

SCHEMBL477885

CN1CCC(Oc2ccc(C(F)(F)F)cc2C#N)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 2/20 0.45
TBK1 Q9UHD2 2/20 0.45
CNR2 P34972 1/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
PGR P06401 2/20 0.41
AR P10275 2/20 0.41
KCNH2 Q12809 2/20 0.41
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
UTS2R Q9UKP6 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL477884 1.00 IKBKE (0.45) IKBKETBK1CNR2HTR2CHTR2B
SCHEMBL18348315 0.82 HTR2C (0.52) IKBKETBK1HTR2CHTR2BPGR
SCHEMBL18348306 0.81 NOS3 (0.49) IKBKETBK1HTR2CHTR2BHRH3
SCHEMBL21723134 0.80 EGFR (0.44) IKBKETBK1KDM4EALDH1A1MAPT
SCHEMBL28909021 0.78 GPR119 (0.53) IKBKETBK1
Hydrochloric Acid SCHEMBL5743525 0.77 UTS2R (0.44) CNR2HTR2CHTR2BUTS2RKDM4E
SCHEMBL477818 0.77 LIPG (0.54) CNR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL477819 0.77 LIPG (0.54) CNR2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3713690 0.76 CNR2 (0.54) CNR2KCNH2KDM4EALDH1A1MAPT
SCHEMBL17948910 0.75 HRH3 (0.49) ARUTS2RHRH3

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 9 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
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 WO 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 IKBKE 3063/4885TBK1 1339/4885CNR2 2/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 IKBKE 2728/4885TBK1 1842/4885CNR2 2/4885

“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.