SCHEMBL5847724

SCHEMBL5847724

C[C@H](NC(=O)C1CC1c1ccccc1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.55
CYP3A4 P08684 3/20 0.55
ITK Q08881 1/20 0.55
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
GPR88 Q9GZN0 1/20 0.47
ROCK2 O75116 4/20 0.46
PRKG1 Q13976 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
KCNQ4 P56696 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
SCN9A Q15858 1/20 0.46
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL30795745 1.00 CHRNA7 (0.55) CHRNA7CYP3A4ITKKCNQ3KCNQ2
SCHEMBL5849183 0.90 CYP3A4 (0.47) CHRNA7CYP3A4ITKROCK2PRKG1
SCHEMBL30795863 0.90 CYP3A4 (0.47) CHRNA7CYP3A4ITKROCK2PRKG1
SCHEMBL5848169 0.82 ACKR3 (0.42) CYP3A4GPR88ROCK2PRKG1CTSL
SCHEMBL30824709 0.82 ACKR3 (0.42) CYP3A4GPR88ROCK2PRKG1CTSL
SCHEMBL30794819 0.82 CHRNA7 (0.52) CHRNA7CYP3A4KCNQ3KCNQ2GPR88
SCHEMBL5848488 0.82 CHRNA7 (0.52) CHRNA7CYP3A4KCNQ3KCNQ2GPR88
SCHEMBL15799207 0.80 KCNQ3 (0.72) CHRNA7CYP3A4KCNQ3KCNQ2GPR88
SCHEMBL15807217 0.79 KCNQ3 (0.57) CHRNA7KCNQ3KCNQ2GPR88KCNQ4
SCHEMBL5849152 0.78 CHRNA7 (0.47) CHRNA7KCNQ3KCNQ2GPR88ROCK2

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-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 148/4885CYP3A4 1049/4885ITK 4624/4885

“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.