SCHEMBL9748628

SCHEMBL9748628

Nc1c2c(nc3cc([N+](=O)[O-])ccc13)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 20/20 1.00
BCHE P06276 7/20 0.62
CHRM1 P11229 2/20 0.62
EPHX2 P34913 1/20 0.62
GRIN1 Q05586 4/20 0.59
GRIN2A Q12879 4/20 0.59
KDM4E B2RXH2 1/20 0.55
CACNB4 O00305 1/20 0.55
CACNA1A O00555 1/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
ABCC4 O15439 1/20 0.55
CACNA1G O43497 1/20 0.55
CACNG3 O60359 1/20 0.55
CACNA1F O60840 1/20 0.55
CACNA1H O95180 1/20 0.55
ALDH1A1 P00352 1/20 0.55
APP P05067 1/20 0.55
CYP1A2 P05177 1/20 0.55
FABP1 P07148 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
SCHEMBL5988415 0.89 ACHE (1.00) ACHEBCHEGRIN1GRIN2AAPP
SCHEMBL17154408 0.79 ACHE (0.64) ACHEALDH1A1CYP3A4TSHR
SCHEMBL4271238 0.77 ACHE (1.00) ACHEBCHECHRM1EPHX2GRIN1
Tacrine SCHEMBL8000509 0.77 ACHE (0.78) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL10990085 0.76 ACHE (0.61) ACHEBCHEAPPCYP1A2
SCHEMBL10522714 0.76 ACHE (1.00) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL12043409 0.76 ACHE (1.00) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL5682854 0.74 ACHE (0.94) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL9633216 0.74 ACHE (0.69) ACHEBCHEKDM4EALDH1A1APP
SCHEMBL11833893 0.73 ACHE (0.57) ACHEBCHEALDH1A1APPADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-5175172-A Administering amino-1,2,3,4-tetrahydroacridine and derivatives for elevation of T4 lymphocytes level in patients DIETLIN FRANCOIS (FR) 1992-12-29 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 ACHE 18/4885BCHE 42/4885CHRM1 24/4885

“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.