SCHEMBL4133764

SCHEMBL4133764

CC(C)(C)OC(=O)C1CNCCN1c1ccccc1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.36
HTR2B P41595 9/20 0.36
HTR2A P28223 7/20 0.36
MAPK1 P28482 1/20 0.34
KDM1A O60341 1/20 0.34
HTR6 P50406 2/20 0.33
BCHE P06276 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL6992310 0.88 HTR2C (0.39) HTR2CHTR2BHTR2AMAPK1KDM1A
SCHEMBL3769425 0.84 HTR2A (0.46) HTR2CHTR2BHTR2AHTR6
SCHEMBL828122 0.83 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL27561229 0.83 SLC6A2 (0.44) HTR2CHTR2BHTR2AMAPK1
SCHEMBL28738216 0.79 ALDH1A1 (0.34) HTR2CHTR2BHTR2AHTR6
SCHEMBL2649062 0.78 GPR119 (0.36) HTR2CHTR2BHTR2AMAPK1
SCHEMBL30175676 0.77 ACACB (0.31) HTR2CHTR2BHTR2A
SCHEMBL3764752 0.77 HTR2C (0.37) HTR2CHTR2BHTR2AMAPK1
SCHEMBL28738154 0.76 HTR2C (0.34) HTR2CHTR2BHTR2A
SCHEMBL31026017 0.76 ALDH1A1 (0.33) HTR2CHTR2BHTR2AHTR6BCHE

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 HTR2C 1381/4885HTR2B 1681/4885HTR2A 1798/4885

“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.