SCHEMBL4248366

SCHEMBL4248366

Fc1ccc(-c2n[nH]cc2CN2CCN(c3c(Cl)cncc3Cl)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
DRD2 P14416 7/20 0.41
DRD4 P21917 7/20 0.41
DRD3 P35462 7/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RPS6KB1 P23443 2/20 0.38
ADRB2 P07550 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36

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 0.82 MAPT (0.60) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL4394614 0.82 MAPT (0.59) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL4250631 0.81 SLC6A2 (0.50) MAPTDRD2DRD4DRD3LMNA
SCHEMBL4395117 0.81 SLC6A2 (0.50) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL4396039 0.81 MAPT (0.47) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL4248943 0.81 DRD2 (0.52) DRD2DRD4DRD3MAPK1ALDH1A1
SCHEMBL4400914 0.81 DRD2 (0.52) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL4246303 0.80 HTR1A (0.45) MAPTDRD2DRD4DRD3LMNA
SCHEMBL4240900 0.80 MAPT (0.54) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL4251252 0.79 DRD4 (0.59) MAPTDRD2DRD4DRD3L3MBTL1

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 6 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
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 MAPT 3880/4885DRD2 4806/4885DRD4 4818/4885

“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.