SCHEMBL4050989

SCHEMBL4050989

NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(CC2CCCCC2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.70
CNR2 P34972 7/20 0.66
ACHE P22303 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
PTGER4 P35408 1/20 0.43
USP30 Q70CQ3 1/20 0.42
F2R P25116 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CAPN1 P07384 1/20 0.41
CTSB P07858 1/20 0.41
HTR3A P46098 1/20 0.41
PADI4 Q9UM07 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
SCHEMBL30641081 1.00 CNR1 (0.70) CNR1CNR2ACHEOPRM1OPRD1
SCHEMBL13690923 1.00 CNR1 (0.70) CNR1CNR2ACHEOPRM1OPRD1
SCHEMBL13690537 0.91 CNR1 (0.64) CNR1CNR2USP30CAPN1HTR3A
SCHEMBL4048909 0.91 CNR1 (0.64) CNR1CNR2USP30CAPN1HTR3A
SCHEMBL4049660 0.86 CNR1 (0.76) CNR1CNR2ACHEOPRM1OPRD1
SCHEMBL4056691 0.86 CNR1 (0.61) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL13690893 0.86 CNR1 (0.61) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL29706145 0.82 CNR1 (1.00) CNR1CNR2ACHEHTR3A
SCHEMBL13691214 0.82 CNR1 (1.00) CNR1CNR2ACHEHTR3A
SCHEMBL4052482 0.82 CNR1 (1.00) CNR1CNR2ACHEHTR3A

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES PASCAL BIOSCIENCES INC (CA) 2023-08-31 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-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES CNR1, CNR2, SARS1 CNR1 1/4885CNR2 2/4885ACHE 190/4885

“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.