SCHEMBL4473029

SCHEMBL4473029

c1ccc(C2CCN([C@H]3CCOC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 9/20 0.60
GRIN2B Q13224 3/20 0.58
CYP2D6 P10635 3/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 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
SCHEMBL4459123 1.00 SLC18A3 (0.60) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL18284733 1.00 SLC18A3 (0.60) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL4483396 0.90 SLC18A3 (0.69) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL22055105 0.88 SLC18A3 (0.66) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL2965273 0.80 SLC18A3 (0.81) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL30563652 0.77 SLC18A3 (0.96) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL4334818 0.77 GRIN2B (0.57) SLC18A3GRIN2BCYP2C19CYP2C9ALDH1A1
SCHEMBL27709432 0.76 CYP2D6 (0.65) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL25993289 0.76 SLC18A3 (0.64) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2
SCHEMBL7888827 0.75 SLC18A3 (1.00) SLC18A3GRIN2BCYP2D6CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 SLC18A3 3509/4885GRIN2B 3868/4885CYP2D6 261/4885

“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.