SCHEMBL5848532

SCHEMBL5848532

CC(C)(C)OC(=O)NC(CO)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.52
GABRB2 P47870 1/20 0.52
GPR88 Q9GZN0 2/20 0.51
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
CTSB P07858 1/20 0.49
UTS2R Q9UKP6 5/20 0.44
MMP9 P14780 1/20 0.43
RIPK1 Q13546 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL5676217 1.00 GABRB1 (0.52) GABRB1GABRB2GPR88CTSSCTSK
SCHEMBL9295219 0.90 GABRB1 (0.50) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL5676053 0.88 ABCB11 (0.49) GPR88CYP1A2TSHR
SCHEMBL21715586 0.88 GABRB1 (0.48) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL5870754 0.88 ABCB11 (0.49) GPR88CYP1A2TSHR
SCHEMBL13802924 0.87 GABRB1 (0.53) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL8362256 0.86 GABRB1 (0.52) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL7299702 0.86 GABRB1 (0.49) GABRB1GABRB2GPR88CTSSCTSK
SCHEMBL5870652 0.84 GABRB1 (0.49) GABRB1GABRB2CTSSCTSKCTSB
SCHEMBL5870653 0.84 GABRB1 (0.49) GABRB1GABRB2CTSSCTSKCTSB

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 5 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
US-7045551-B2 1-aryl-2-hydroxyethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 US 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
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 EP 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 GABRB1 190/4885GABRB2 205/4885GPR88 429/4885
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 GABRB1 133/4885GABRB2 140/4885GPR88 604/4885

“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.