SCHEMBL6288322

SCHEMBL6288322

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 1.00
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACHE P22303 1/20 0.51
KMT2A Q03164 1/20 0.50
SLC6A12 P48065 1/20 0.47
SLC6A13 Q9NSD5 1/20 0.47

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
SCHEMBL6288321 1.00 CHRNA7 (1.00) CHRNA7NPC1RAB9AMAPK11MAPK14
Hydrochloric Acid SCHEMBL6680053 0.99 CHRNA7 (0.98) CHRNA7NPC1RAB9AMAPK11MAPK14
Hydrochloric Acid SCHEMBL6287307 0.99 CHRNA7 (0.98) CHRNA7NPC1RAB9AMAPK11MAPK14
Hydrochloric Acid SCHEMBL6287303 0.99 CHRNA7 (0.98) CHRNA7NPC1RAB9AMAPK11MAPK14
SCHEMBL6291512 0.94 CHRNA7 (0.89) CHRNA7NPC1RAB9AMAPK11MAPK14
SCHEMBL6389019 0.93 CHRNA7 (0.87) CHRNA7NPC1RAB9ATP53HPGD
SCHEMBL6389012 0.93 CHRNA7 (0.87) CHRNA7NPC1RAB9ATP53HPGD
SCHEMBL6387402 0.87 CHRNA7 (0.77) CHRNA7NPC1RAB9ATP53HPGD
SCHEMBL6291001 0.85 CHRNA7 (0.74) CHRNA7NPC1RAB9AMAPK11MAPK14
SCHEMBL6288170 0.85 CHRNA7 (0.74) CHRNA7NPC1RAB9AMAPK11MAPK14

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
EP-1442037-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-07-10 US claimed
WO-2003042210-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-05-22 WO claimed
US-6951868-B2 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PFIZER INC. (US) 2005-10-04 US disclosed
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-07-10 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-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 CHRNA7 1760/4885NPC1 172/4885RAB9A 954/4885

“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.