SCHEMBL4303403

SCHEMBL4303403

N[C@@H]1C[C@H](COCCCOc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CFD P00746 1/20 0.41
PPARD Q03181 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 4/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PPARG P37231 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL3948770 0.89 NPC1 (0.42) HPGDNPC1RAB9APPARDSMN1; SMN2
SCHEMBL3950648 0.87 NR1D1 (0.40) CFD
SCHEMBL4298176 0.87 NR1D1 (0.40) CFD
SCHEMBL3945721 0.86 PDE4B (0.42) HPGDNPC1RAB9ACFDHRH2
SCHEMBL13662041 0.81 LTA4H (0.41) LTA4H
SCHEMBL4299002 0.80 HPGD (0.38) HPGDNPC1RAB9APPARDSMN1; SMN2
SCHEMBL6978115 0.80 AGTR2 (0.46) ALDH1A1OPRM1OPRD1
SCHEMBL4294638 0.80 AGTR2 (0.46) ALDH1A1OPRM1OPRD1
SCHEMBL4297705 0.77 NPC1 (0.40) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4289909 0.76 S1PR5 (0.41) RAB9ASMN1; SMN2KDM4EALDH1A1

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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF HPGD 3107/4885NPC1 111/4885RAB9A 323/4885

“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.