SCHEMBL3090041

SCHEMBL3090041

CCOc1cc(CN2CCC(N3Cc4cc(OC)ccc4C3=O)CC2)cc(OCC)c1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 6/20 0.50
SCN5A Q14524 6/20 0.50
SCN9A Q15858 6/20 0.50
MAOA P21397 2/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SSTR5 P35346 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL3104473 0.89 SSTR5 (0.48) SCN1ASCN5ASCN9ADRD2HTR2A
SCHEMBL3101560 0.88 SCN1A (0.47) SCN1ASCN5ASCN9ADRD2HTR2A
SCHEMBL3095201 0.87 SCN1A (0.52) SCN1ASCN5ASCN9ASSTR5
SCHEMBL3633329 0.82 HRH3 (0.46) SSTR5
SCHEMBL3085402 0.80 SCN1A (0.52) SCN1ASCN5ASCN9ADRD2HTR2A
SCHEMBL3101936 0.76 SSTR5 (0.50) SCN1ASCN5ASCN9ASSTR5
SCHEMBL3086964 0.74 SCN1A (0.50) SCN1ASCN5ASCN9ASSTR5
SCHEMBL9762133 0.74 SCN1A (0.67) SCN1ASCN5ASCN9A
SCHEMBL31409498 0.74 HTR2A (0.53) SCN1ASCN5ASCN9AMAOAHTR2A
SCHEMBL3654185 0.73 DRD2 (0.65) DRD2HTR2AHTR2CHTR2BSIGMAR1

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-7799806-B2 Substituted n-benzyl piperidines as somatostatin receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US claimed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP claimed
US-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-09 US claimed
US-7799806-B2 Substituted n-benzyl piperidines as somatostatin receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed
US-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-09 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-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES SSTR5, SSTR3, SSTR1 SCN1A 1682/4885SCN5A 399/4885SCN9A 3847/4885

“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.