SCHEMBL12043403

SCHEMBL12043403

Nc1c2c(nc3ccccc13)CCCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 14/20 1.00
▸ BCHE P06276 12/20 1.00
▸ GRIN1 Q05586 6/20 0.97
▸ GRIN2A Q12879 6/20 0.97
▸ TSHR P16473 3/20 0.97
▸ HSD17B10 Q99714 3/20 0.97
▸ ALDH1A1 P00352 2/20 0.97
▸ CYP1A2 P05177 2/20 0.97
▸ CYP2D6 P10635 2/20 0.97
▸ CHRM1 P11229 2/20 0.97
▸ KDM4E B2RXH2 1/20 0.97
▸ CACNB4 O00305 1/20 0.97
▸ CACNA1A O00555 1/20 0.97
▸ SLC22A2 O15244 1/20 0.97
▸ SLC22A1 O15245 1/20 0.97
▸ ABCC4 O15439 1/20 0.97
▸ CACNA1G O43497 1/20 0.97
▸ CACNG3 O60359 1/20 0.97
▸ CACNA1F O60840 1/20 0.97
▸ CACNA1H O95180 1/20 0.97

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
SCHEMBL29713603 1.00 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
SCHEMBL5042118 1.00 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL2828 0.98 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL7714835 0.98 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL29594645 0.98 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL29681895 0.98 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL7638777 0.97 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL3270 0.97 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL1044163 0.97 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL9407893 0.97 CYP1A2 (0.97) ACHEBCHEGRIN1GRIN2ATSHR

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 3 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

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 42/4885GRIN1 38/4885

“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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