SCHEMBL17548550

SCHEMBL17548550

O=[N+]([O-])CC(c1cccs1)c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 1.00
MEN1 O00255 1/20 0.75
LMNA P02545 1/20 0.75
MAPT P10636 1/20 0.75
KMT2A Q03164 1/20 0.75
ATM Q13315 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
CNR2 P34972 1/20 0.70

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
SCHEMBL31282223 0.90 CNR1 (0.82) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL31282617 0.90 CNR1 (0.80) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL17548442 0.88 CNR1 (1.00) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL31282971 0.88 CNR1 (1.00) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL31282735 0.87 CNR1 (0.76) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL31282334 0.87 CNR1 (0.76) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL31282892 0.86 CNR1 (0.76) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL31282198 0.86 CNR1 (0.76) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL31282119 0.86 CNR1 (0.74) CNR1MEN1LMNAMAPTKMT2A
SCHEMBL31282574 0.86 CNR1 (0.74) CNR1MEN1LMNAMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
WO-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 CNR1 1/4885MEN1 3818/4885LMNA 3469/4885

“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.