SCHEMBL4406091

SCHEMBL4406091

O=C(O)Nc1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ GSTP1 P09211 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ SIRT2 Q8IXJ6 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ACMSD Q8TDX5 1/20 0.45
▸ FTO Q9C0B1 1/20 0.45
▸ S1PR4 O95977 1/20 0.44
▸ S1PR5 Q9H228 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ FABP3 P05413 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
SCHEMBL265014 0.80 ALDH1A1 (0.62) MEN1KMT2ACYP2C9ALDH1A1HPGD
SCHEMBL16438560 0.79 PTGER1 (0.52) NPC1RAB9AFTOMEN1KMT2A
SCHEMBL4681312 0.79 CHRM3 (0.50) HDAC4HDAC2HDAC8NPC1RAB9A
SCHEMBL27012225 0.78 GSTP1 (0.55) SLC6A2SLC6A4SLC6A3GSTP1HDAC4
Hydrochloric Acid SCHEMBL5883332 0.78 ALDH1A1 (0.61) MEN1KMT2ACYP2C9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL380091 0.78 ALDH1A1 (0.61) MEN1KMT2ACYP2C9ALDH1A1HPGD
SCHEMBL5106705 0.77 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2ACYP2C9
SCHEMBL5100118 0.77 MAPT (0.60) NPC1RAB9AMEN1KMT2ACYP2C9
SCHEMBL15399816 0.77 FABP3 (0.50) SLC6A2SLC6A4SLC6A3GSTP1HDAC4
SCHEMBL1305080 0.77 PFKFB3 (0.44) MAPTTSHRUSP2POLBHTT

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
EP-1711183-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 — — EP disclosed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 — — US disclosed
EP-1711183-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-18 — — EP disclosed
WO-2005067537-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-28 — — 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-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 SLC6A2 517/4885SLC6A4 671/4885SLC6A3 526/4885

“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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