SCHEMBL5990879

SCHEMBL5990879

Nc1ccc2nc3c(c(N)c2c1)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 1.00
MAPT P10636 1/20 0.77
BCHE P06276 15/20 0.72
GRIN1 Q05586 15/20 0.72
GRIN2A Q12879 15/20 0.72

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
Hydrochloric Acid SCHEMBL29817833 0.84 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL8018131 0.84 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL30397413 0.84 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL28998722 0.84 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29817663 0.83 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29817805 0.83 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29818018 0.83 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29817806 0.83 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL8006170 0.82 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29817798 0.81 ACHE (1.00) ACHEBCHEGRIN1GRIN2A

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
US-20060030565-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2006-02-09 US disclosed
US-6903094-B2 Amide derivatives and nociceptin antagonists JAPAN TABACCO, INC. (JP) 2005-06-07 US disclosed
US-20030055087-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2003-03-20 US disclosed
US-6410561-B1 ANALGESICS JAPAN TOBACCO INC. (JP) 2002-06-25 US disclosed
EP-1072263-A1 AMIDE DERIVATIVES AND NOCICEPTIN ANTAGONISTS JAPAN TOBACCO INC. (JP) 2001-01-31 EP 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 (2 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-20030055087-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRK1 ACHE 298/4885MAPT 3992/4885BCHE 1579/4885
US-20060030565-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRM1 ACHE 214/4885MAPT 4000/4885BCHE 1355/4885

“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.