SCHEMBL4872002

SCHEMBL4872002

Oc1ccc(SC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.57
BACE1 P56817 4/20 0.57
DRD4 P21917 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
BCHE P06276 3/20 0.51
DRD2 P14416 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
CCR3 P51677 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49

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
SCHEMBL10795431 0.87 SIGMAR1 (0.60) ACHEBACE1DRD4SIGMAR1BCHE
SCHEMBL4870804 0.86 GRIN2A (0.54) ACHECCR3GRIN2AGRIN2BCARM1
SCHEMBL4869777 0.83 ACHE (0.41) ACHEBACE1DRD4SIGMAR1BCHE
SCHEMBL4873718 0.82 PTGIR (0.56) ACHEBACE1SIGMAR1GRIN2B
Maleic Acid SCHEMBL10799180 0.80 DRD2 (0.54) ACHEDRD4SIGMAR1BCHEDRD2
Fumaric Acid SCHEMBL10799186 0.80 DRD2 (0.54) ACHEDRD4SIGMAR1BCHEDRD2
SCHEMBL10797896 0.80 CARM1 (0.52) ACHEBACE1DRD4SIGMAR1BCHE
SCHEMBL4866350 0.80 L3MBTL1 (0.54) DRD4SIGMAR1
SCHEMBL6875117 0.79 SIGMAR1 (0.49) SIGMAR1GRIN2AGRIN2B
SCHEMBL10797797 0.78 ACHE (0.54) ACHEBACE1DRD4SIGMAR1BCHE

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
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 ACHE 25/4885BACE1 3424/4885DRD4 506/4885

“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.