SCHEMBL6068434

SCHEMBL6068434

COc1ccccc1C1=CCN(C[C@H](N)CC2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
HTR1A P08908 2/20 0.41
PARP1 P09874 1/20 0.41
KCNH2 Q12809 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CACNA1G O43497 1/20 0.41
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 2/20 0.36

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
SCHEMBL6180652 0.81 PPARG (0.52) TNKSTNKS2CCNT1CDK9HTR1A
SCHEMBL7759086 0.78 PPARG (0.41) TNKSTNKS2CCNT1CDK9HTR1A
Hydrochloric Acid SCHEMBL6313945 0.75 RECQL (0.52) HTR1AMAPT
SCHEMBL6068170 0.75 DRD2 (0.52) HTR1AMAPT
SCHEMBL6068249 0.75 DRD2 (0.55) HTR7
SCHEMBL31348196 0.74 CCNT1 (0.52) TNKSTNKS2CCNT1CDK9HTR1A
SCHEMBL31348259 0.74 CCNT1 (0.52) TNKSTNKS2CCNT1CDK9HTR1A
SCHEMBL6177022 0.73 MEN1 (0.51) CCNT1CDK9HTR1AKCNH2PPARG
SCHEMBL6179380 0.71 PPARG (0.47) CCNT1CDK9HTR1APARP1KCNH2
SCHEMBL2396688 0.71 HTR1A (0.57) CCNT1CDK9HTR1APARP1PPARG

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 9 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-6518272-B2 HT3 receptor agonists and antagonists; treatment of anxiety, depression, cognitive deficits, and prostate cancer WYETH 2003-02-11 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 TNKS 1020/4885TNKS2 1536/4885CCNT1 2071/4885
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents HTR5A, MC5R, CHRNA5 TNKS 1020/4885TNKS2 1536/4885CCNT1 2071/4885

“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.