SCHEMBL2341041

SCHEMBL2341041

Nc1nnc(-c2ccccc2)nn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ ADORA2A P29274 7/20 0.58
▸ ADORA1 P30542 6/20 0.58
▸ ADORA3 P0DMS8 3/20 0.58
▸ ADORA2B P29275 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ CSNK1A1 P48729 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NOTUM Q6P988 2/20 0.45
▸ TDO2 P48775 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43

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
SCHEMBL3652642 0.86 NPC1 (1.00) NPC1RAB9AMAPK1ADORA2AADORA1
SCHEMBL10049754 0.82 RAB9A (0.70) NPC1RAB9AMAPK1ADORA2AADORA1
SCHEMBL13977603 0.77 MAOA (0.64) NPC1RAB9AMAPK1ADORA2AADORA1
SCHEMBL21102349 0.76 RAB9A (0.78) NPC1RAB9AMAPK1ADORA2AADORA1
SCHEMBL24715123 0.74 NPC1 (0.74) NPC1RAB9AMAPK1ADORA2AADORA1
Benzoguanamine SCHEMBL27898 0.74 ADORA2A (1.00) NPC1RAB9AADORA2AADORA1ADORA3
Benzoguanamine SCHEMBL917182 0.74 ADORA2A (1.00) NPC1RAB9AADORA2AADORA1ADORA3
Benzoguanamine SCHEMBL28634836 0.74 ADORA2A (1.00) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL11978673 0.74 NPC1 (0.74) NPC1RAB9AMAPK1ADORA2AADORA1
SCHEMBL3424387 0.74 ADORA2A (0.90) NPC1RAB9AMAPK1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011136484-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-11-03 — — WO disclosed
EP-2358704-A1 7-azaspiro [3.5]nonane-7-carboxamide compounds as modulators of fatty acid amide hydrolase Pfizer Inc. (US) 2011-08-24 — — EP disclosed
WO-2011010844-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-01-27 — — WO disclosed
US-20100113465-A1 7-AZASPIRO[3.5]NONANE-7-CARBOXAMIDE COMPOUNDS PFIZER INC. 2010-05-06 — — US disclosed
WO-2010049841-A1 7-AZASPIRO [3.5] NONANE-7-CARBOXAMIDE COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE PFIZER INC. (US) 2010-05-06 — — 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-20100113465-A1 7-AZASPIRO[3.5]NONANE-7-CARBOXAMIDE COMPOUNDS FAAH, FAAH2, APEH NPC1 2674/4885RAB9A 1178/4885MAPK1 3416/4885

“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.

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