SCHEMBL12140989

SCHEMBL12140989

CN1C2CCC1CC(Cc1cccc(-c3cccc(CN)c3)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDE4D Q08499 1/20 0.41
▸ CHRM3 P20309 6/20 0.40
▸ CHRM2 P08172 4/20 0.40
▸ CHRM1 P11229 4/20 0.40
▸ MAP4K1 Q92918 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37

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 SCHEMBL1364491 0.99 OPRM1 (0.42) OPRM1OPRD1OPRK1KCNH2PDE4D
SCHEMBL3434754 0.80 NMT1 (0.51) MAP4K1SLC6A4HTR1AHTR1DHTR1B
SCHEMBL1363925 0.80 NMT1 (0.51) MAP4K1SLC6A4HTR1AHTR1DHTR1B
SCHEMBL13761196 0.76 EED (0.36) OPRD1MAP4K1SLC6A4HTR1A
SCHEMBL12062836 0.76 BCHE (0.41) —
SCHEMBL13761198 0.74 GBA1 (0.57) SLC6A4
SCHEMBL3601724 0.72 SLC6A2 (0.61) OPRM1OPRD1OPRK1KCNH2CHRM3
SCHEMBL3609402 0.72 SLC6A2 (0.61) OPRM1OPRD1OPRK1KCNH2CHRM3
SCHEMBL3601726 0.72 SLC6A2 (0.61) OPRM1OPRD1OPRK1KCNH2CHRM3
Hydrochloric Acid SCHEMBL4237024 0.71 SLC6A2 (0.60) OPRM1OPRD1OPRK1KCNH2CHRM3

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-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 — — US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 — — US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 — — US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 — — 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-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 OPRM1 1249/4885OPRD1 1188/4885OPRK1 901/4885

“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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