SCHEMBL6643374

SCHEMBL6643374

CC(C)(C)Nc1c(-c2cccc(O)c2)nc2ccccn12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.74
BACE1 P56817 6/20 0.63
BACE2 Q9Y5Z0 6/20 0.63
TUBB4A P04350 1/20 0.62
TUBB P07437 1/20 0.62
TUBA3C P0DPH7 1/20 0.62
TUBA1B P68363 1/20 0.62
TUBA4A P68366 1/20 0.62
TUBB4B P68371 1/20 0.62
TUBB3 Q13509 1/20 0.62
TUBB2A Q13885 1/20 0.62
TUBB8 Q3ZCM7 1/20 0.62
TUBA3E Q6PEY2 1/20 0.62
TUBA1A Q71U36 1/20 0.62
TUBA1C Q9BQE3 1/20 0.62
TUBB6 Q9BUF5 1/20 0.62
TUBB2B Q9BVA1 1/20 0.62
TUBB1 Q9H4B7 1/20 0.62
TOP2A P11388 1/20 0.62
TRIM24 O15164 1/20 0.58

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
SCHEMBL6649635 0.85 GAA (0.60) ADRA1BBACE1BACE2TUBB4ATUBB
SCHEMBL25414843 0.85 ADRA1B (1.00) ADRA1BBACE1BACE2TOP2ATRIM24
SCHEMBL25416714 0.84 ADRA1B (0.91) ADRA1BBACE1BACE2TUBB4ATUBB
SCHEMBL6646005 0.79 ADRA1B (0.76) ADRA1BBACE1BACE2TOP2ATRIM24
SCHEMBL7011739 0.78 GAA (0.52) ADRA1BBACE1BACE2TUBB4ATUBB
SCHEMBL4719562 0.78 IDO1 (0.73) ADRA1BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18313530 0.78 TOP2A (0.77) ADRA1BBACE1BACE2TOP2ATRIM24
SCHEMBL16424708 0.78 ADRA1B (0.80) ADRA1BBACE1BACE2TUBB4ATUBB
SCHEMBL28600538 0.78 ADRA1B (0.80) ADRA1BBACE1BACE2TUBB4ATUBB
SCHEMBL20889444 0.77 ADRA1B (0.65) ADRA1BBACE1BACE2TOP2ATRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP claimed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US claimed
JP-2003511451-A 2003-03-25 JP claimed
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives GRUENENTHAL GMBH 2003-01-23 US claimed
EP-1218382-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027111-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 WO claimed
CN-1257169-C Bicyclic imidazol-3-yl-amine derivatives GRUELENTHAL GMBH (DE) 2006-05-24 CN disclosed
EP-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP disclosed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US disclosed
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives GRUENENTHAL GMBH 2003-01-23 US disclosed
EP-1218382-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027111-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 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 (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-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives OPRK1, IPO4, GRIN3A ADRA1B 477/4885BACE1 4157/4885BACE2 3778/4885

“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.