SCHEMBL12140976

SCHEMBL12140976

CN1CCC(Cc2cccc(-c3cccc(CNCc4cccc(C(=O)O)c4)c3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 3/20 0.48
▸ NMT1 P30419 2/20 0.47
▸ PPM1D O15297 2/20 0.47
▸ FNTA P49354 2/20 0.47
▸ FNTB P49356 2/20 0.47
▸ PGGT1B P53609 1/20 0.47
▸ MYC P01106 1/20 0.46
▸ CHRM3 P20309 1/20 0.45
▸ TAF1 P21675 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ NR1D2 Q14995 1/20 0.44

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
SCHEMBL12725438 0.88 MEN1 (0.50) —
SCHEMBL1364691 0.86 NMT1 (0.52) NMT1HDAC1
SCHEMBL12725436 0.79 CHRM3 (0.74) CHRM3
SCHEMBL13162660 0.77 LOXL2 (0.54) PPM1D
SCHEMBL1363925 0.74 NMT1 (0.51) NMT1TAF1NR1D2
SCHEMBL3434754 0.74 NMT1 (0.51) NMT1TAF1NR1D2
SCHEMBL16033312 0.73 HTR1A (0.46) —
SCHEMBL12725442 0.73 CHRM3 (0.56) CHRM3
SCHEMBL9005670 0.72 PPM1D (0.64) PPM1D
SCHEMBL9005566 0.72 PPM1D (0.64) PPM1D

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 2 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-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 MEP1B 1467/4885NMT1 1261/4885PPM1D 1718/4885

“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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