SCHEMBL5750070

SCHEMBL5750070

COc1ccc2nccc(NC(=O)C3(C(N)=O)CCNCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.47
AXL P30530 2/20 0.35
MERTK Q12866 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
EGFR P00533 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL5749942 0.87 KCNH2 (0.45) KCNH2AXLMERTKCNR1CNR2
SCHEMBL5749909 0.86 KCNH2 (0.57) KCNH2AXLMERTKCNR1CNR2
SCHEMBL5749905 0.86 KCNH2 (0.49) KCNH2AXLMERTKCNR1CNR2
SCHEMBL5750027 0.85 KCNH2 (0.48) KCNH2AXLMERTKCNR1CNR2
SCHEMBL5750585 0.84 KCNH2 (0.49) KCNH2CNR1CNR2
SCHEMBL5750363 0.83 KCNH2 (0.46) KCNH2AXLMERTKCNR1CNR2
SCHEMBL5748528 0.81 KCNH2 (0.47) KCNH2CNR1CNR2
SCHEMBL5746005 0.76 KCNH2 (0.45) KCNH2
SCHEMBL5751526 0.74 KCNH2 (0.42) KCNH2
SCHEMBL14341308 0.74 KCNH2 (0.51) KCNH2CNR1CNR2

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
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 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-20040198756-A1 Medicaments PIGO, PSAP, CD68 KCNH2 3821/4885AXL 4679/4885MERTK 458/4885

“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.