SCHEMBL4391383

SCHEMBL4391383

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(N3CC(O)C3)nc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.41
CXCR3 P49682 6/20 0.39
SMO Q99835 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HSD11B1 P28845 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD4 P21917 1/20 0.35
GRM2 Q14416 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL4254428 1.00 SGPL1 (0.41) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL4241389 0.94 CXCR3 (0.39) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL4241386 0.94 CXCR3 (0.39) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL13590972 0.89 DGAT1 (0.42) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL4244638 0.89 DGAT1 (0.42) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL4244629 0.89 DGAT1 (0.42) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL4251536 0.88 SGPL1 (0.40) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL4251539 0.88 SGPL1 (0.40) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL4398201 0.87 PTGDR2 (0.42) SGPL1CXCR3SMOSMN1; SMN2LMNA
SCHEMBL4245500 0.87 SGPL1 (0.38) SGPL1CXCR3SMOSMN1; SMN2LMNA

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
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
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
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 SGPL1 656/4885CXCR3 1268/4885SMO 1890/4885

“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.