SCHEMBL5753131

SCHEMBL5753131

CSc1nccc(C(C(=O)c2cccc(C(F)(F)F)c2)C(C)C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
LNPEP Q9UIQ6 1/20 0.38
GRIN2B Q13224 3/20 0.37
TRPV4 Q9HBA0 1/20 0.37
FAAH O00519 1/20 0.37
CCR2 P41597 2/20 0.37
CCR3 P51677 1/20 0.37
CETP P11597 1/20 0.37
MGLL Q99685 1/20 0.37
F2R P25116 1/20 0.36
IDH1 O75874 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7467972 0.78 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7679543 0.73 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6950463 0.72 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7529385 0.72 MAPK13 (0.48) GRIN2BTRPV4FAAHCETPF2R
SCHEMBL7468591 0.72 TRPC3 (0.42) SMN1; SMN2NPC1RAB9ALNPEPGRIN2B
SCHEMBL6173126 0.71 MAPK14 (0.41) SMN1; SMN2NPC1RAB9AGRIN2BTRPV4
SCHEMBL6170576 0.71 MAPK14 (0.49) GRIN2BTRPV4FAAHF2R
SCHEMBL6175245 0.71 MAPK13 (0.49) SMN1; SMN2NPC1RAB9ALNPEPGRIN2B
SCHEMBL6172304 0.71 MAPK14 (0.49) SMN1; SMN2NPC1RAB9AGRIN2BTRPV4
SCHEMBL5753879 0.70 TRPC3 (0.42) SMN1; SMN2NPC1RAB9AGRIN2BTRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628665-A2 3-PHENYL-4-(PYRIMIDIN-2-YL)-6-(PIPERIDIN-4-YL) DERIVATIVES AND RELATED COMPOUNDS AS TNF-ALPHA AND IL-1 INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-03-01 EP disclosed
US-20040254178-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2004-12-16 US disclosed
WO-2004094379-A2 3-PHENYL-4- (PYRIMIDIN-2-YL) -6- (PIPERIDIN-4-YL) DERIVATIVES AND RELATED COMPOUNDS AS TNF-ALPHA AND IL-1 INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-11-04 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-20040254178-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, MUSK SMN1; SMN2 9/4885NPC1 2806/4885RAB9A 890/4885

“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.