SCHEMBL6808620

SCHEMBL6808620

O=CN1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1.O=CN1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.47
▸ DRD3 P35462 3/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ RET P07949 1/20 0.39
▸ TDO2 P48775 3/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SCD O00767 1/20 0.38
▸ PANK3 Q9H999 1/20 0.38
▸ ME2 P23368 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
SCHEMBL941026 0.92 DRD4 (0.53) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL941651 0.87 AKR1C3 (0.57) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6812180 0.84 GPR119 (0.50) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL17863633 0.83 AKR1C3 (0.53) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5238753 0.76 DRD4 (0.55) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL5236585 0.74 AKR1C3 (0.61) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31589397 0.72 HTR1A (0.52) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL12911528 0.71 GPR119 (0.58) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL1742814 0.70 HRH3 (0.52) DRD4DRD3HTR1AHTR2ASLC6A4
Hydrochloric Acid SCHEMBL942193 0.70 GPR119 (0.56) DRD4DRD3HTR1AHTR2ASLC6A4

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-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 — — US disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — 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-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 DRD4 4845/4885DRD3 4849/4885HTR1A 4269/4885

“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.

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