SCHEMBL5849152

SCHEMBL5849152

C[C@H](NC(=O)C1CC1c1cccc(F)c1)c1cccc(-c2ccc(F)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.47
LIPG Q9Y5X9 1/20 0.41
ROCK2 O75116 3/20 0.41
GPR88 Q9GZN0 2/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
PRKG1 Q13976 1/20 0.40
ABL1 P00519 1/20 0.39
SCN9A Q15858 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
KIT P10721 1/20 0.38

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
SCHEMBL30795111 1.00 CHRNA7 (0.47) CHRNA7LIPGROCK2GPR88KCNQ3
SCHEMBL30795863 0.89 CYP3A4 (0.47) CHRNA7LIPGROCK2PRKG1
SCHEMBL5849183 0.89 CYP3A4 (0.47) CHRNA7LIPGROCK2PRKG1
SCHEMBL15807217 0.80 KCNQ3 (0.57) CHRNA7GPR88KCNQ3KCNQ2KCNQ4
SCHEMBL5847724 0.78 CHRNA7 (0.55) CHRNA7ROCK2GPR88KCNQ3KCNQ2
SCHEMBL30795745 0.78 CHRNA7 (0.55) CHRNA7ROCK2GPR88KCNQ3KCNQ2
SCHEMBL5888450 0.76 ROCK2 (0.49) LIPGROCK2PRKG1
SCHEMBL5888445 0.76 ROCK2 (0.49) LIPGROCK2PRKG1
SCHEMBL5848169 0.76 ACKR3 (0.42) LIPGROCK2GPR88PRKG1
SCHEMBL30824709 0.76 ACKR3 (0.42) LIPGROCK2GPR88PRKG1

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 6 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
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS 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 148/4885LIPG 4726/4885ROCK2 2922/4885

“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.