SCHEMBL587208

SCHEMBL587208

c1cc2c(cc1-c1cnc(C3CC3)nc1)CCNC2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 7/20 0.60
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CD274 Q9NZQ7 3/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PNMT P11086 3/20 0.39
CD44 P16070 1/20 0.39
MAOB P27338 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAP4K1 Q92918 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL27700750 0.94 ASIC3 (0.58) ASIC3DRD2DRD3CD274DDB1
Hydrochloric Acid SCHEMBL587643 0.93 ASIC3 (0.56) ASIC3DRD2DRD3CD274DDB1
Hydrochloric Acid SCHEMBL587096 0.79 ASIC3 (0.40) ASIC3DRD2DRD3CD274DDB1
SCHEMBL3337600 0.77 ASIC3 (0.60) ASIC3DRD2DRD3CD274PNMT
SCHEMBL27721456 0.76 ASIC3 (0.59) ASIC3DRD2DRD3CD274PNMT
Hydrochloric Acid SCHEMBL588201 0.75 ASIC3 (0.58) ASIC3DRD2DRD3CD274PNMT
SCHEMBL1010614 0.72 ASIC3 (0.61) ASIC3DRD2DRD3CD274PNMT
SCHEMBL3126396 0.72 ASIC3 (0.55) ASIC3DRD2DRD3DDB1CRBN
SCHEMBL6347388 0.72 ASIC3 (0.65) ASIC3DRD2DRD3CD274PNMT
Hydrochloric Acid SCHEMBL587196 0.71 ASIC3 (0.44) ASIC3DRD2DRD3CD274DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-07 US disclosed
US-7655664-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 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 (2 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-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ASIC3 3925/4885DRD2 2638/4885DRD3 2849/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ASIC3 3925/4885DRD2 2638/4885DRD3 2849/4885

“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.