SCHEMBL3525468

SCHEMBL3525468

CCOC(=O)c1cn2c3c(cccc13)CCC2C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.64
KDM4E B2RXH2 1/20 0.44
ELANE P08246 2/20 0.43
CNR2 P34972 2/20 0.43
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 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
SCHEMBL3520185 0.83 CNR1 (0.64) CNR1KDM4ECNR2
SCHEMBL13225969 0.79 CNR1 (0.98) CNR1CNR2
SCHEMBL13225970 0.79 CNR1 (1.00) CNR1CNR2
Hydrochloric Acid SCHEMBL3522494 0.79 CNR1 (0.96) CNR1CNR2
Hydrochloric Acid SCHEMBL3518579 0.78 CNR1 (0.98) CNR1CNR2
SCHEMBL13225972 0.77 CNR1 (0.81) CNR1KDM4ECNR2
SCHEMBL4129093 0.77 KDM4E (0.48) CNR1KDM4EELANECNR2MAPT
SCHEMBL4129090 0.77 KDM4E (0.48) CNR1KDM4EELANECNR2MAPT
SCHEMBL1395803 0.75 MTNR1A (0.54) KDM4EELANEMEN1KMT2A
SCHEMBL2259815 0.74 MTNR1A (0.50) KDM4EELANEMAPTMEN1KMT2A

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-7772227-B2 Tricyclic 1-[(indol-3-yl)carbonyl]piperazine derivatives as cannabinoid CB1 receptor agonists N.V. ORGANON (NL) 2010-08-10 US disclosed
CN-100540005-C Trinucleated 1-[(3-indol-3-yl as the cannabinoid CB 1 receptor agonist) carbonyl] bridged piperazine derivatives AKZO NOBEL NV (NL) 2009-09-16 CN disclosed
US-20070088025-A1 such as (R)-3-Cyclohexyl-2,3-dihydro-6-(4-ethylpiperazin-1-ylcarbonyl)pyrrolo[1,2,3-de]-1,4-benzoxazine hydrochloride salt, used as analgesics for the treatment of post-operative pain, chronic pain neuropathic pain, cancer pain and spasticity associated with multiple sclerosis AKZO NOBEL N.V. (NL) 2007-04-19 US disclosed
EP-1696930-B1 TRICYCLIC 1-((3-INDOL-3-YL)CARBONYL)PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS ORGANON NV (NL) 2007-04-11 EP disclosed
CN-1893953-A Tricyclic 1-((3-indol-3-yl)carbonyl)piperazine derivatives as cannabinoid cb1 receptor agonists AKZO NOBEL NV (NL) 2007-01-10 CN disclosed
EP-1696930-A1 TRICYCLIC 1-((3-INDOL-3-YL)CARBONYL)PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS Akzo Nobel N.V. (NL) 2006-09-06 EP disclosed
WO-2005058327-A1 TRICYCLIC 1-[(3-INDOL-3-YL)CARBONYL] PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS AKZO NOBEL N.V. (NL) 2005-06-30 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 (1 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-20070088025-A1 such as (R)-3-Cyclohexyl-2,3-dihydro-6-(4-ethylpiperazin-1-ylcarbonyl)pyrrolo[1,2,3-de]-1,4-benzoxazine hydrochloride salt, used as analgesics for the treatment of post-operative pain, chronic pain neuropathic pain, cancer pain and spasticity associated with multiple sclerosis OPRD1, OPRK1, OPRM1 CNR1 4/4885KDM4E 2539/4885ELANE 2586/4885

“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.