SCHEMBL4241386

SCHEMBL4241386

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(N3CCC(O)C3)nc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.39
SGPL1 O95470 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
SMO Q99835 1/20 0.38
LCAT P04180 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4241389 1.00 CXCR3 (0.39) CXCR3SGPL1TRPV1CHRM2CHRM1
SCHEMBL4391383 0.94 SGPL1 (0.41) CXCR3SGPL1CHRM2CHRM1HRH3
SCHEMBL4254428 0.94 SGPL1 (0.41) CXCR3SGPL1CHRM2CHRM1HRH3
SCHEMBL4244638 0.87 DGAT1 (0.42) CXCR3SGPL1SMOLMNAKMT2A
SCHEMBL4244629 0.87 DGAT1 (0.42) CXCR3SGPL1SMOLMNAKMT2A
SCHEMBL13590972 0.87 DGAT1 (0.42) CXCR3SGPL1SMOLMNAKMT2A
SCHEMBL4251536 0.86 SGPL1 (0.40) CXCR3SGPL1CHRM2CHRM1SMO
SCHEMBL4251539 0.86 SGPL1 (0.40) CXCR3SGPL1CHRM2CHRM1SMO
SCHEMBL4255207 0.85 CXCR3 (0.38) CXCR3SGPL1SMO
SCHEMBL4255215 0.85 CXCR3 (0.38) CXCR3SGPL1SMO

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 9 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
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
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
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 CXCR3 1268/4885SGPL1 656/4885TRPV1 2815/4885

“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.