SCHEMBL4394614

SCHEMBL4394614

Fc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
DRD2 P14416 7/20 0.54
DRD3 P35462 7/20 0.54
DRD4 P21917 4/20 0.54
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HTR1A P08908 5/20 0.48
HTR2A P28223 5/20 0.48
DRD1 P21728 3/20 0.48
DRD5 P21918 3/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
ADORA1 P30542 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR7 P34969 2/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL4253037 0.94 MAPT (0.60) MAPTDRD2DRD3DRD4L3MBTL1
SCHEMBL4396039 0.90 MAPT (0.47) MAPTDRD2DRD3DRD4KMT2A
SCHEMBL4240900 0.88 MAPT (0.54) MAPTDRD2DRD3DRD4L3MBTL1
SCHEMBL4396325 0.88 MAPT (0.54) MAPTDRD2DRD3DRD4L3MBTL1
SCHEMBL4391668 0.88 MAPT (0.54) MAPTDRD2DRD3DRD4KMT2A
SCHEMBL4395117 0.88 SLC6A2 (0.50) MAPTDRD2DRD3DRD4KMT2A
SCHEMBL4240754 0.87 MAPT (0.53) MAPTDRD2DRD3DRD4L3MBTL1
SCHEMBL4249859 0.87 SLC6A4 (0.51) MAPTDRD2DRD3DRD4LMNA
SCHEMBL4245787 0.86 MAPT (0.67) MAPTDRD3DRD4KMT2AL3MBTL1
SCHEMBL4395226 0.86 MAPT (0.67) MAPTDRD3DRD4KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 MAPT 3880/4885DRD2 4806/4885DRD3 4698/4885

“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.