SCHEMBL4893667

SCHEMBL4893667

CCCc1ncc(C(=O)OCC(C)C)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.47
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.36
JMJD6 Q6NYC1 1/20 0.34
XDH P47989 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR35 Q9HC97 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 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
SCHEMBL27454468 0.78 MMP2 (0.48) MMP2ALDH1A1KDM4EHSP90AA1MMP9
SCHEMBL7424613 0.76 MMP2 (0.48) MMP2ALDH1A1TSHRKDM4EMMP9
SCHEMBL27394755 0.74 MMP2 (0.43) MMP2ALDH1A1MMP9MMP13
Hydrochloric Acid SCHEMBL10695618 0.70 MMP2 (0.70) MMP2ALDH1A1MMP9MMP13MAPT
SCHEMBL31373939 0.69 MMP2 (0.58) MMP2ALDH1A1TSHRKDM4EXDH
SCHEMBL14744177 0.69 MMP2 (0.67) MMP2ALDH1A1TSHRKDM4EXDH
SCHEMBL7424608 0.68 MMP2 (0.61) MMP2ALDH1A1TSHRKDM4EXDH
Hydrochloric Acid SCHEMBL14744176 0.68 MMP2 (0.65) MMP2ALDH1A1TSHRKDM4EXDH
SCHEMBL23673650 0.68 TSHR (0.41) ALDH1A1TSHRKDM4EJMJD6NPSR1
SCHEMBL25130084 0.68 KDM4E (0.41) MMP2ALDH1A1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 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-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators GABRB1, GABBR2, GABRB2 MMP2 4773/4885ALDH1A1 1448/4885TSHR 142/4885

“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.