SCHEMBL6068262

SCHEMBL6068262

COc1ccccc1N1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 2/20 0.56
RAB9A P51151 1/20 0.54
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR2B P41595 1/20 0.53
DRD2 P14416 2/20 0.52
ADRA1A P35348 2/20 0.52
DRD3 P35462 2/20 0.52
TSHR P16473 2/20 0.51
TACR3 P29371 1/20 0.50
PKM P14618 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL6068270 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL17152353 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL6068393 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL6068390 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL6068501 0.79 ADRA1A (0.55) ALDH1A1MEN1KMT2AHTR1ADRD2
SCHEMBL6068170 0.79 DRD2 (0.52) ALDH1A1MEN1KMT2AHTR1ADRD2
SCHEMBL8185140 0.79 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ALMNARAB9A
Hydrochloric Acid SCHEMBL6706985 0.79 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ALMNARAB9A
Hydrochloric Acid SCHEMBL6706983 0.79 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ALMNARAB9A
Hydrochloric Acid SCHEMBL8443647 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNARAB9A

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 5 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 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 ALDH1A1 975/4885MEN1 2716/4885KMT2A 3539/4885
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents HTR5A, MC5R, CHRNA5 ALDH1A1 975/4885MEN1 2716/4885KMT2A 3539/4885

“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.