SCHEMBL354165

SCHEMBL354165

CC(C)(C)N(C(=O)O)C1CCc2ccc(O)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.61
DRD3 P35462 12/20 0.61
DRD4 P21917 7/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP2D6 P10635 2/20 0.54
HTR1A P08908 1/20 0.54
ADRB2 P07550 1/20 0.54
CASP1 P29466 1/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
ACHE P22303 3/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1026496 0.83 HTR1A (0.48) DRD2DRD3HTR1A
SCHEMBL589241 0.80 FAAH (0.40) DRD2DRD3DRD4CA1CA2
SCHEMBL16868783 0.77 MCHR1 (0.41) DRD2DRD3DRD4CA1CA2
SCHEMBL16868778 0.77 MCHR1 (0.41) DRD2DRD3DRD4CA1CA2
SCHEMBL16868798 0.77 MCHR1 (0.41) DRD2DRD3DRD4CA1CA2
SCHEMBL16868763 0.77 MCHR1 (0.41) DRD2DRD3DRD4CA1CA2
SCHEMBL6134728 0.74 DRD2 (0.58) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6134727 0.74 DRD2 (0.58) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL1784095 0.73 PNMT (0.39)
SCHEMBL589671 0.73 BACE1 (0.36) DRD2DRD3DRD4

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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 (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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 DRD2 2063/4885DRD3 2383/4885DRD4 2585/4885

“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.