SCHEMBL3518685

SCHEMBL3518685

NC(=S)c1cn(CC2CCCCC2)c2c(Cl)cccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.59
CNR2 P34972 5/20 0.43
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3520860 0.89 CNR1 (0.66) CNR1CNR2KCNH2CYP3A4CYP2D6
SCHEMBL3188747 0.88 CNR1 (0.51) CNR1CNR2KCNH2
SCHEMBL3518278 0.84 CNR1 (0.66) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL3520722 0.83 CNR1 (0.62) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL3570908 0.82 CNR1 (0.63) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL3521344 0.80 CNR1 (0.61) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL3519768 0.78 CNR1 (0.56) CNR1CNR2KCNH2CYP3A4CYP2D6
SCHEMBL3176127 0.77 CNR1 (0.57) CNR1CNR2KCNH2
SCHEMBL3522225 0.77 CNR1 (0.60) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL5565960 0.77 CNR1 (0.80) CNR1CNR2CYP3A4CYP2D6CYP2C9

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-1919471-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR MERCK SHARP & DOHME (NL) 2014-01-08 EP disclosed
US-7763732-B2 7-Chloro-3-({5-[N-(morpholin-1-ylcarboxamido)methyl]aminomethyl}-([1,2,4]-thiadiazol-3-yl))-1-(tetrahydropyran-4-yl)methyl-1H-indole, hydrochloride salt; treatment of pain N.V. ORGANON (NL) 2010-07-27 US disclosed
US-20070082931-A1 Indole derivatives AKZO NOBLE N.V. (NL) 2007-04-12 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-20070082931-A1 Indole derivatives IDO1, TPH1, IDO2 CNR1 36/4885CNR2 24/4885KCNH2 1569/4885

“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.