SCHEMBL4816906

SCHEMBL4816906

O=CCCCc1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
TSHR P16473 2/20 0.32
CYP2A6 P11509 1/20 0.31
TBXAS1 P24557 1/20 0.30

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
SCHEMBL347549 0.86 HCAR2 (0.31)
SCHEMBL702110 0.76 CYP2A6 (0.59) CYP2A6TBXAS1
SCHEMBL29438514 0.76 CYP2A6 (0.59) CYP2A6TBXAS1
SCHEMBL6195117 0.74 HRH1 (0.50) HIF1ATSHR
SCHEMBL10651306 0.74
SCHEMBL5376031 0.71 TDP1 (0.61) CYP2A6TBXAS1
SCHEMBL8925031 0.70 CYP11B1 (0.37) CYP2A6TBXAS1
SCHEMBL29329263 0.70 CYP2A6 (0.33) CYP2A6
SCHEMBL12495594 0.70 L3MBTL1 (0.50) HIF1ATSHR
SCHEMBL10423050 0.70 CYP2A6 (0.57) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1109787-B1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
CN-1183119-C Arylpiperzines as metalloproteinase inhibiting agents (MMP) and their use 2005-01-05 CN disclosed
US-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-09-02 US disclosed
US-6734184-B1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-05-11 US disclosed
CN-1324347-A Arylpiperzines as metalloproteinase inhibiting agents (MMP) and their use ASTRA ZENECA LTD (SE) 2001-11-28 CN disclosed
EP-1109787-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012478-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2000-03-09 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 (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-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) MMP13, MMP25, MMP3 HIF1A 1119/4885TSHR 2604/4885CYP2A6 251/4885

“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.