SCHEMBL4891645

SCHEMBL4891645

N=c1sc2c(n1CC1CCC1)COC2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL4903086 0.87 PDE1A (0.40) PDE1APDE1BPDE4D
SCHEMBL6738331 0.72 CYP1A1 (0.45) PDE1APDE1BPDE4D
Bromide SCHEMBL4939908 0.71 CYP1A1 (0.46) PDE1APDE1BPDE4D
SCHEMBL3384380 0.70 ALDH1A1 (0.38)
SCHEMBL3384385 0.70 ALDH1A1 (0.38)
SCHEMBL963152 0.67 CNR2 (0.33) PDE1APDE1BPDE4D
SCHEMBL2484586 0.59 NOTUM (0.37)
SCHEMBL963478 0.56 TPH1 (0.31)
SCHEMBL23749779 0.55 ALDH1A1 (0.48) PDE1APDE1B
SCHEMBL945777 0.54 KMT2A (0.38)

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-8735434-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-11-20 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-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 PDE1A 975/4885PDE1B 708/4885PDE4D 1118/4885

“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.