SCHEMBL4539668

SCHEMBL4539668

CN(C=O)c1cnn(-c2nc(N)c3ncn(C4OC(CO)C(O)C4O)c3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.72
ADORA3 P0DMS8 2/20 0.68
ADORA2B P29275 1/20 0.68
ADORA1 P30542 1/20 0.68
ADRA1A P35348 1/20 0.68
LMNA P02545 1/20 0.55
NT5E P21589 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL271016 1.00 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL15158228 1.00 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1ADRA1A
Water SCHEMBL489161 0.99 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL15158230 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL271324 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL2367515 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL2883494 0.86 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL1985230 0.85 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL3949118 0.84 ADORA3 (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL18556282 0.84 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 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 (2 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 ADORA2A 126/4885ADORA3 180/4885ADORA2B 48/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 ADORA2A 126/4885ADORA3 180/4885ADORA2B 48/4885

“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.