SCHEMBL5848488

SCHEMBL5848488

C[C@H](NC(=O)C1CC1c1ccccc1)c1cccc(-c2cccnc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.52
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
DGAT2 Q96PD7 2/20 0.44
MGAT2 Q10469 1/20 0.44
CYP3A4 P08684 1/20 0.43
TRPM5 Q9NZQ8 1/20 0.43
SCN9A Q15858 1/20 0.43
ROCK2 O75116 2/20 0.42
PRKG1 Q13976 1/20 0.42
FFAR1 O14842 1/20 0.41
ABL1 P00519 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GPR88 Q9GZN0 2/20 0.40
GRIA2 P42262 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL30794819 1.00 CHRNA7 (0.52) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5676107 0.89 CHRNA7 (0.39) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL30796524 0.89 CHRNA7 (0.39) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5847724 0.82 CHRNA7 (0.55) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL30795745 0.82 CHRNA7 (0.55) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15807217 0.80 KCNQ3 (0.57) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15799207 0.77 KCNQ3 (0.72) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5849183 0.77 CYP3A4 (0.47) CHRNA7CYP3A4ROCK2PRKG1
SCHEMBL30795863 0.77 CYP3A4 (0.47) CHRNA7CYP3A4ROCK2PRKG1
SCHEMBL5888661 0.75 ENPP2 (0.48)

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 claimed
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 claimed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 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

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-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 CHRNA7 148/4885KCNQ3 5/4885KCNQ2 1/4885

“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.