SCHEMBL6810285

SCHEMBL6810285

CC(=O)NC[C@H]1CN(c2ccc(OCC3CCCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.44
CHRM2 P08172 1/20 0.44
DRD1 P21728 1/20 0.44
MAOA P21397 5/20 0.43
LMNA P02545 2/20 0.43
MAOB P27338 2/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCC4 O15439 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TOP2B Q02880 1/20 0.42
DHFR P00374 1/20 0.41

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
SCHEMBL4635165 0.98 DPP4 (0.46) DPP4CHRM2DRD1MAOALMNA
SCHEMBL6809814 0.98 DPP4 (0.46) DPP4CHRM2DRD1MAOALMNA
SCHEMBL6813964 0.94 DPP4 (0.47) DPP4CHRM2DRD1MAOALMNA
SCHEMBL4635981 0.94 DPP4 (0.47) DPP4CHRM2DRD1MAOALMNA
SCHEMBL4635175 0.94 DPP4 (0.47) DPP4CHRM2DRD1MAOALMNA
SCHEMBL4634563 0.94 DPP4 (0.47) DPP4CHRM2DRD1MAOALMNA
SCHEMBL4634896 0.93 DPP4 (0.48) DPP4CHRM2DRD1MAOALMNA
SCHEMBL9613104 0.93 DPP4 (0.48) DPP4CHRM2DRD1MAOALMNA
SCHEMBL4634245 0.92 DPP4 (0.45) DPP4CHRM2DRD1MAOALMNA
SCHEMBL6809376 0.92 DPP4 (0.44) DPP4CHRM2DRD1MAOALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132764-A1 Antibiotics for the treatment of infections in acidic environments MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE 2004-07-08 US 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-20040132764-A1 Antibiotics for the treatment of infections in acidic environments IL17A, OXA1L, NQO2 DPP4 1735/4885CHRM2 4789/4885DRD1 1458/4885

“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.