SCHEMBL3176044

SCHEMBL3176044

C[C@@H]1CNC[C@H](C)N1Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.72
KCNH2 Q12809 7/20 0.64
CNR2 P34972 3/20 0.64

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
SCHEMBL3186718 0.85 CNR1 (0.68) CNR1KCNH2CNR2
SCHEMBL3186714 0.85 CNR1 (0.68) CNR1KCNH2CNR2
SCHEMBL3169868 0.85 CNR1 (0.77) CNR1KCNH2CNR2
SCHEMBL3188830 0.84 CNR1 (0.80) CNR1KCNH2CNR2
SCHEMBL3174847 0.84 CNR1 (0.78) CNR1KCNH2CNR2
SCHEMBL3518774 0.83 CNR1 (0.77) CNR1KCNH2CNR2
SCHEMBL3180593 0.83 CNR1 (0.76) CNR1KCNH2CNR2
SCHEMBL3170225 0.83 CNR1 (0.61) CNR1KCNH2CNR2
SCHEMBL3520251 0.83 CNR1 (0.76) CNR1KCNH2CNR2
Hydrochloric Acid SCHEMBL3518433 0.82 CNR1 (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 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 (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.