SCHEMBL4872614

SCHEMBL4872614

Oc1ccc(SC2CCN(CC3CCCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.44
ADRA2C P18825 1/20 0.44
ACHE P22303 1/20 0.44
OPRL1 P41146 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 2/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL4868790 0.92 CARM1 (0.42) OPRM1CARM1PRMT6GRIN2AGRIN2B
SCHEMBL11557522 0.79 MAOA (0.58) MAOAMAOBGRIN2B
SCHEMBL23639396 0.79 MAOA (0.58) MAOAMAOBGRIN2B
SCHEMBL4865285 0.77 CARM1 (0.49) CARM1PRMT6GRIN2AGRIN2B
SCHEMBL11557641 0.77 MAOA (0.55) MAOAMAOBGRIN2B
SCHEMBL4874496 0.76 CARM1 (0.51) CARM1PRMT6GRIN2AGRIN2B
SCHEMBL4866579 0.75 CARM1 (0.43) CARM1PRMT6MAOBGRIN2AGRIN2B
SCHEMBL4874025 0.75 CARM1 (0.43) CARM1PRMT6GRIN2AGRIN2B
SCHEMBL4873467 0.73 CARM1 (0.49) CARM1PRMT6GRIN2AGRIN2B
SCHEMBL4872002 0.73 ACHE (0.57) ACHECARM1PRMT6GRIN2AGRIN2B

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 CHRM5 20/4885ADRA2C 27/4885ACHE 25/4885

“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.