SCHEMBL14072147

SCHEMBL14072147

C=C1COc2ccc(CN)cc2N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.48
DRD4 P21917 6/20 0.40
DRD2 P14416 5/20 0.40
DRD3 P35462 3/20 0.40
NR3C2 P08235 4/20 0.39
MMP12 P39900 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL13343856 0.82 PARP1 (0.49) PARP1DRD4DRD2DRD3NR3C2
SCHEMBL8201893 0.81 PARP1 (0.48) PARP1DRD4DRD2DRD3NR3C2
SCHEMBL351961 0.81 PARP1 (0.72) PARP1DRD4DRD2DRD3NR3C2
SCHEMBL15079497 0.80 PARP1 (0.51) PARP1DRD4DRD2DRD3NR3C2
Hydrochloric Acid SCHEMBL3557170 0.79 PARP1 (0.70) PARP1DRD4DRD2DRD3NR3C2
SCHEMBL13343857 0.77 PARP1 (0.44) PARP1DRD4DRD2DRD3NR3C2
SCHEMBL13377721 0.77 PARP1 (0.44) PARP1DRD4DRD2DRD3NR3C2
SCHEMBL14072148 0.75 PARP1 (0.34) PARP1NR3C2
SCHEMBL12689382 0.75 MMP12 (0.65) PARP1DRD4DRD2DRD3MMP12
SCHEMBL13383406 0.74 PARP1 (0.42) PARP1DRD4DRD2DRD3NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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 (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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 PARP1 327/4885DRD4 4288/4885DRD2 4464/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 PARP1 699/4885DRD4 3925/4885DRD2 3618/4885

“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.