SCHEMBL4133762

SCHEMBL4133762

CC(C)(C)OC(=O)N1CCN(c2ccccc2B(O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
SMARCA2 P51531 1/20 0.51
SMARCA4 P51532 1/20 0.51
PBRM1 Q86U86 1/20 0.51
NAMPT P43490 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
PDK2 Q15119 1/20 0.47
RBP4 P02753 1/20 0.47
ACHE P22303 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
SCHEMBL2843440 0.85 SMARCA2 (0.60) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL29664457 0.85 SMARCA2 (0.60) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL29664453 0.85 SMARCA2 (0.60) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL17276765 0.85 CKS1B (0.55) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL17110812 0.85 GPR119 (0.44) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL3436307 0.84 AKR1C3 (0.57) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL14852499 0.84 MEN1 (0.56) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL30613376 0.84 GAA (0.69) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL2382922 0.84 GAA (0.69) GPR119ALDH1A1LMNAMAPTCKS1B
SCHEMBL30208139 0.84 MEN1 (0.56) GPR119ALDH1A1LMNAMAPTCKS1B

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-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
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
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-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP 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
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
WO-2008015437-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-02-07 WO disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 WO 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 GPR119 674/4885ALDH1A1 489/4885LMNA 4727/4885

“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.