SCHEMBL4139764

SCHEMBL4139764

CN(C)C(=O)Nc1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 3/20 0.53
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
EGFR P00533 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL7089269 0.86 ALDH1A1 (0.56) HTTALDH1A1SMN1; SMN2
SCHEMBL30761772 0.86 ALDH1A1 (0.56) HTTALDH1A1SMN1; SMN2
SCHEMBL9470950 0.79 ALDH1A1 (0.48) HTTALDH1A1
SCHEMBL30782571 0.78 GAA (0.53) HTTKMT2AMEN1LMNANPC1
SCHEMBL5814278 0.78 NPC1 (0.64) HTTKMT2ALMNANPC1RAB9A
SCHEMBL4048833 0.78 GAA (0.53) HTTKMT2AMEN1LMNANPC1
SCHEMBL29408737 0.78 RXFP1 (0.61) HTTKMT2AMEN1LMNANPC1
SCHEMBL422636 0.78 RXFP1 (0.61) HTTKMT2AMEN1LMNANPC1
SCHEMBL3837851 0.78 MAPT (0.52) HTTALDH1A1MAPT
SCHEMBL13235126 0.77 HTT (0.81) HTTKMT2AMEN1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163715-A1 Intermediate in Production of [2-(3,3,5,5-Tetramethylcyclohexyl)phenyl]Piperazine Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-25 US disclosed
EP-1889827-A1 INTERMEDIATE IN PRODUCTION OF [2-(3,3,5,5-TETRAMETHYLCYCLOHEXYL)PHENYL]PIPERAZINE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP 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-20090163715-A1 Intermediate in Production of [2-(3,3,5,5-Tetramethylcyclohexyl)phenyl]Piperazine Compound ICAM1, HRH1, HRH2 HTT 3387/4885KMT2A 2501/4885MEN1 2184/4885

“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.