SCHEMBL2032222

SCHEMBL2032222

Cc1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.77
ADORA3 P0DMS8 2/20 0.77
ADORA2B P29275 2/20 0.77
ADORA1 P30542 2/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
CYP1A2 P05177 1/20 0.77
MAPK1 P28482 1/20 0.77
RXFP1 Q9HBX9 2/20 0.76
TSHR P16473 3/20 0.74
PMP22 Q01453 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
CYP2C19 P33261 1/20 0.74
THPO P40225 1/20 0.74
GAA P10253 1/20 0.72
HTT P42858 1/20 0.72
SIGMAR1 Q99720 1/20 0.72
SLC29A1 Q99808 1/20 0.72
TP53 P04637 1/20 0.72

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
SCHEMBL19799156 0.99 ADORA3 (0.79) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL12192981 0.99 ADORA3 (0.79) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL8604493 0.92 ADORA3 (0.68) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL8604498 0.92 ADORA3 (0.68) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL9352985 0.90 MEN1 (0.77) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL9352997 0.89 MEN1 (0.76) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL9353007 0.89 MEN1 (0.76) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL6660828 0.89 ADORA3 (0.81) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL6660843 0.89 ADORA3 (0.81) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL26487693 0.89 ADORA3 (0.64) ADORA2AADORA3ADORA2BADORA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207689-A1 THE TREATMENT OF HEARING LOSS AUCKLAND UNISERVICES LIMITED 2011-08-25 US claimed
CN-102159209-A The treatment of hearing loss AUCKLAND UNISERVICES LTD 2011-08-17 CN claimed
EP-2328577-A1 THE TREATMENT OF HEARING LOSS Auckland UniServices Limited (NZ) 2011-06-08 EP claimed
WO-2010019057-A1 THE TREATMENT OF HEARING LOSS AUCKLAND UNISERVICES LIMITED (NZ) 2010-02-18 WO claimed
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
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
US-20110207689-A1 THE TREATMENT OF HEARING LOSS AUCKLAND UNISERVICES LIMITED 2011-08-25 US disclosed
CN-102159209-A The treatment of hearing loss AUCKLAND UNISERVICES LTD 2011-08-17 CN disclosed
EP-2328577-A1 THE TREATMENT OF HEARING LOSS Auckland UniServices Limited (NZ) 2011-06-08 EP disclosed
WO-2010019057-A1 THE TREATMENT OF HEARING LOSS AUCKLAND UNISERVICES LIMITED (NZ) 2010-02-18 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 (3 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-20110207689-A1 THE TREATMENT OF HEARING LOSS ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA3 3/4885ADORA2B 4/4885
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.