SCHEMBL17600563

SCHEMBL17600563

CCCCCn1nc(C(=O)NC(C(N)=O)C(C)C)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 1.00
CNR2 P34972 12/20 0.94
KDM4E B2RXH2 1/20 0.48
HTR3A P46098 1/20 0.46
CFD P00746 1/20 0.44

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
SCHEMBL29361630 1.00 CNR1 (1.00) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL31052997 1.00 CNR1 (1.00) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL25367439 0.92 CNR1 (0.85) CNR1CNR2KDM4EHTR3A
SCHEMBL25367435 0.92 CNR1 (0.85) CNR1CNR2KDM4EHTR3A
SCHEMBL17613431 0.91 CNR1 (0.83) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL29019203 0.91 CNR1 (0.98) CNR1CNR2KDM4EHTR3A
SCHEMBL21140768 0.90 CNR1 (1.00) CNR1CNR2KDM4EHTR3A
SCHEMBL17613430 0.90 CNR1 (0.81) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL29822416 0.90 CNR1 (1.00) CNR1CNR2KDM4EHTR3A
SCHEMBL30032574 0.90 CNR1 (0.81) CNR1CNR2KDM4EHTR3ACFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160084859-A1 DETECTION OF INDAZOLE SYNTHETIC CANNABINOIDS RANDOX LABORATORIES LIMITED (GB) 2016-03-24 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-20160084859-A1 DETECTION OF INDAZOLE SYNTHETIC CANNABINOIDS CNR2, CNR1, HRH4 CNR1 2/4885CNR2 1/4885KDM4E 2620/4885

“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.