SCHEMBL6068291

SCHEMBL6068291

COc1ccccc1C1CCN(C[C@@H](CC2CCCCC2)N(C)C(=O)C(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.48
KMT2A Q03164 10/20 0.48
DRD2 P14416 3/20 0.45
CHRM4 P08173 1/20 0.43
DRD4 P21917 3/20 0.42
MAPK1 P28482 1/20 0.41
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR7 P34969 1/20 0.40
GRM2 Q14416 1/20 0.40
ATM Q13315 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
SCHEMBL7760241 0.88 MEN1 (0.54) MEN1KMT2ADRD2CHRM4DRD4
SCHEMBL7759804 0.85 MEN1 (0.46) MEN1KMT2ADRD2CHRM4DRD4
SCHEMBL6068487 0.80 MEN1 (0.49) MEN1KMT2ADRD2CHRM4DRD4
SCHEMBL7155140 0.79 MEN1 (0.54) MEN1KMT2ADRD2CHRM4DRD4
SCHEMBL6068330 0.79 MEN1 (0.54) MEN1KMT2ADRD2CHRM4DRD4
SCHEMBL6068249 0.77 DRD2 (0.55) MEN1KMT2ADRD2DRD4MAPK1
SCHEMBL6068222 0.75 DRD2 (0.53) MEN1KMT2ADRD2CHRM4DRD4
SCHEMBL6068218 0.75 DRD2 (0.53) MEN1KMT2ADRD2DRD4MAPK1
Cyclohexane SCHEMBL6180435 0.73 MEN1 (0.48) MEN1KMT2ADRD2CHRM4DRD4
SCHEMBL6177728 0.73 HTR1A (0.56) MEN1KMT2ADRD2CHRM4DRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049330-B2 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (US) 2006-05-23 US claimed
US-20030139449-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (US) 2003-07-24 US claimed
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (FORMERLY AMERICAN HOME PRODUCTS CORPORATION) (US) 2002-10-24 US claimed
US-7049330-B2 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (US) 2006-05-23 US disclosed
US-20030139449-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (US) 2003-07-24 US disclosed
US-6518272-B2 HT3 receptor agonists and antagonists; treatment of anxiety, depression, cognitive deficits, and prostate cancer WYETH 2003-02-11 US disclosed
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (FORMERLY AMERICAN HOME PRODUCTS CORPORATION) (US) 2002-10-24 US disclosed
US-6376494-B1 USED IN THE TREATMENT OF ANXIETY AND DEPRESSION AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 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 (2 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-20030139449-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents HTR5A, MC5R, CHRNA5 MEN1 2716/4885KMT2A 3539/4885DRD2 59/4885
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents HTR5A, MC5R, CHRNA5 MEN1 2716/4885KMT2A 3539/4885DRD2 59/4885

“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.