SCHEMBL3517154

SCHEMBL3517154

CN(CNC=O)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.74
KCNH2 Q12809 18/20 0.74
CYP1A1 P04798 1/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65

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
SCHEMBL3566442 0.84 CNR1 (1.00) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3517298 0.83 CNR1 (0.74) CNR1KCNH2
SCHEMBL3574139 0.83 CNR1 (1.00) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3187657 0.81 CNR1 (0.79) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3564472 0.79 CNR1 (1.00) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3566537 0.79 CNR1 (1.00) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3519971 0.77 CNR1 (0.68) CNR1KCNH2
SCHEMBL3522926 0.76 CNR1 (0.66) CNR1KCNH2
SCHEMBL3177288 0.74 CNR1 (0.80) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL16456675 0.73 CNR1 (0.74) CNR1KCNH2

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 36/4885KCNH2 1569/4885CYP1A1 108/4885

“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.