SCHEMBL5849183

SCHEMBL5849183

CC(NC(=O)C1CC1c1cccc(F)c1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
ITK Q08881 2/20 0.45
CHRNA7 P36544 3/20 0.45
ROCK2 O75116 5/20 0.44
PRKG1 Q13976 1/20 0.44
NAMPT P43490 1/20 0.43
LIPG Q9Y5X9 1/20 0.41
LCK P06239 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 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
SCHEMBL30795863 1.00 CYP3A4 (0.47) CYP3A4ITKCHRNA7ROCK2PRKG1
SCHEMBL30795745 0.90 CHRNA7 (0.55) CYP3A4ITKCHRNA7ROCK2PRKG1
SCHEMBL5847724 0.90 CHRNA7 (0.55) CYP3A4ITKCHRNA7ROCK2PRKG1
SCHEMBL30795111 0.89 CHRNA7 (0.47) CHRNA7ROCK2PRKG1LIPG
SCHEMBL5849152 0.89 CHRNA7 (0.47) CHRNA7ROCK2PRKG1LIPG
SCHEMBL5848169 0.87 ACKR3 (0.42) CYP3A4ROCK2PRKG1LIPGCTSL
SCHEMBL30824709 0.87 ACKR3 (0.42) CYP3A4ROCK2PRKG1LIPGCTSL
SCHEMBL15807217 0.80 KCNQ3 (0.57) CHRNA7
SCHEMBL30794819 0.77 CHRNA7 (0.52) CYP3A4CHRNA7ROCK2PRKG1
SCHEMBL5848488 0.77 CHRNA7 (0.52) CYP3A4CHRNA7ROCK2PRKG1

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
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO 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 CYP3A4 1049/4885ITK 4624/4885CHRNA7 148/4885

“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.