SCHEMBL3177288

SCHEMBL3177288

NC(=O)CN1CCN(Cc2csc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.80
KCNH2 Q12809 15/20 0.80
CNR2 P34972 2/20 0.71
CYP1A1 P04798 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL3170037 0.84 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3187678 0.83 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3187657 0.82 CNR1 (0.79) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3176141 0.81 CNR1 (0.95) CNR1KCNH2CNR2
SCHEMBL3525226 0.78 CNR1 (0.71) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3574139 0.77 CNR1 (1.00) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3188793 0.77 CNR1 (0.87) CNR1KCNH2CNR2
SCHEMBL3175899 0.76 CNR1 (0.87) CNR1KCNH2CNR2
SCHEMBL14775580 0.75 CNR1 (0.81) CNR1KCNH2CNR2
SCHEMBL3174703 0.75 CNR1 (0.81) CNR1KCNH2CNR2

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-2125795-B1 INDOLE DERIVATIVES MSD OSS BV (NL) 2013-03-20 EP claimed
US-7655645-B2 Analgesics; neuropathic pain, cancer pain, multiple sclerosis N.V. ORGANON (NL) 2010-02-02 US claimed
US-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 US claimed
EP-2125795-B1 INDOLE DERIVATIVES MSD OSS BV (NL) 2013-03-20 EP disclosed
EP-2125795-B1 INDOLE DERIVATIVES MSD OSS BV (NL) 2013-03-20 EP disclosed
US-7655645-B2 Analgesics; neuropathic pain, cancer pain, multiple sclerosis N.V. ORGANON (NL) 2010-02-02 US disclosed
US-7655645-B2 Analgesics; neuropathic pain, cancer pain, multiple sclerosis N.V. ORGANON (NL) 2010-02-02 US disclosed
US-7655645-B2 Analgesics; neuropathic pain, cancer pain, multiple sclerosis N.V. ORGANON (NL) 2010-02-02 US disclosed
US-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 US disclosed
US-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 US disclosed
US-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 US disclosed
WO-2008101995-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 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-20080207598-A1 INDOLE DERIVATIVES CNR1, CNR2, OPRD1 CNR1 1/4885KCNH2 293/4885CNR2 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.