SCHEMBL4334584

SCHEMBL4334584

O=C(Nc1ncccn1)c1nc(CN2CCS(O)(O)CC2)c2ccccn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.57
CNR1 P21554 6/20 0.57
FAAH O00519 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
HTR4 Q13639 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4334587 0.92 CNR2 (0.67) CNR2CNR1FAAHHTR3EHTR3B
SCHEMBL4325964 0.91 CNR2 (0.52) CNR2CNR1HTR4KMT2AKDM4E
SCHEMBL4327319 0.90 CNR2 (0.54) CNR2CNR1HTR3EHTR3BHTR1A
SCHEMBL4327706 0.90 CNR1 (0.62) CNR2CNR1FAAHKMT2ANPC1
SCHEMBL4331764 0.88 CNR2 (0.65) CNR2CNR1
SCHEMBL4324697 0.87 CNR2 (0.54) CNR2CNR1HTR4KMT2AKDM4E
SCHEMBL4331300 0.87 CNR1 (0.52) CNR2CNR1KMT2AKDM4ENPC1
SCHEMBL4340056 0.86 CNR2 (0.68) CNR2CNR1FAAHHTR3EHTR3B
SCHEMBL4333482 0.85 CNR2 (0.52) CNR2CNR1HTR4
SCHEMBL4326279 0.84 CNR1 (0.50) CNR2CNR1

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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885FAAH 151/4885

“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.