SCHEMBL5848169

SCHEMBL5848169

CC(NC(=O)C1CC1c1cc(F)ccc1F)c1cccc(-c2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.42
CYP3A4 P08684 3/20 0.40
GPR55 Q9Y2T6 3/20 0.39
GPR88 Q9GZN0 1/20 0.39
RORC P51449 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ROCK2 O75116 6/20 0.39
PRKG1 Q13976 2/20 0.39
LIPG Q9Y5X9 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
SCHEMBL30824709 1.00 ACKR3 (0.42) ACKR3CYP3A4GPR55GPR88RORC
SCHEMBL30795863 0.87 CYP3A4 (0.47) CYP3A4CTSLCTSSCTSKROCK2
SCHEMBL5849183 0.87 CYP3A4 (0.47) CYP3A4CTSLCTSSCTSKROCK2
SCHEMBL30795745 0.82 CHRNA7 (0.55) CYP3A4GPR88CTSLCTSSCTSK
SCHEMBL5847724 0.82 CHRNA7 (0.55) CYP3A4GPR88CTSLCTSSCTSK
SCHEMBL5848289 0.77 GPR88 (0.48) GPR88
SCHEMBL30794634 0.77 GPR88 (0.48) GPR88
SCHEMBL5676107 0.76 CHRNA7 (0.39) GPR88ROCK2PRKG1
SCHEMBL30796524 0.76 CHRNA7 (0.39) GPR88ROCK2PRKG1
SCHEMBL5849152 0.76 CHRNA7 (0.47) GPR88ROCK2PRKG1LIPG

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 ACKR3 1130/4885CYP3A4 1049/4885GPR55 365/4885

“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.