SCHEMBL5673122

SCHEMBL5673122

CC(C)(C)OC(=O)N[C@@H](CO)c1cccc(N2CCOCC2)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ GAA P10253 5/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ KCNQ2 O43526 1/20 0.36

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
SCHEMBL5870891 1.00 ALDH1A1 (0.40) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL10216957 0.80 CTSS (0.43) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL5870886 0.79 KCNQ2 (0.48) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL5674426 0.78 CYP3A4 (0.47) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12480409 0.78 NPSR1 (0.41) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL10217257 0.78 NPSR1 (0.41) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL30483968 0.78 NPSR1 (0.41) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL30146902 0.78 NPSR1 (0.41) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL25445027 0.75 CTSS (0.47) ALDH1A1TSHRPOLBSMN1; SMN2NPSR1
SCHEMBL29770841 0.75 CTSS (0.47) ALDH1A1TSHRPOLBSMN1; SMN2NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 — — US disclosed
EP-1581510-A4 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 — — EP disclosed
US-7045551-B2 1-aryl-2-hydroxyethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 — — US disclosed
EP-1581510-A2 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 — — EP disclosed
US-20040122007-A1 1-aryl-2-hydroxyethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 — — US disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 — — US disclosed
WO-2004047743-A2 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 — — 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 (2 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-20040122007-A1 1-aryl-2-hydroxyethyl amides as potassium channel openers KCNQ3, KCNQ2, KCNQ4 ALDH1A1 597/4885GAA 3312/4885MEN1 1207/4885
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 ALDH1A1 954/4885GAA 2924/4885MEN1 2015/4885

“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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