SCHEMBL4799890

SCHEMBL4799890

N#Cc1ccc(CC2(C(=O)O)C[C@H](O)CN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.42
ARG2 P78540 2/20 0.42
CTSC P53634 10/20 0.39
HTT P42858 1/20 0.38
CTBP2 P56545 1/20 0.37
CTSK P43235 1/20 0.36
GAA P10253 1/20 0.35
HSD11B1 P28845 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35

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
SCHEMBL27999407 0.77 SLC6A2 (0.46) ARG1ARG2CTSCHTTCTBP2
SCHEMBL1818900 0.77 SLC6A2 (0.46) ARG1ARG2CTSCHTTCTBP2
SCHEMBL4637455 0.69 TSHR (0.36) CTSCGAA
SCHEMBL4802125 0.68 ARG1 (0.34) ARG1ARG2HTTGAA
SCHEMBL4840142 0.66 CYP3A4 (0.44) CTSCSAE1UBA2
SCHEMBL4798320 0.66 CYP3A4 (0.44) CTSCSAE1UBA2
SCHEMBL1818451 0.63 SLC6A2 (0.48)
SCHEMBL7440413 0.63 ALDH1A1 (0.41)
SCHEMBL29352303 0.63 SLC6A2 (0.48)
SCHEMBL1819168 0.62 SLC6A2 (0.44) ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375237-B2 Pyrrolizine compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-20 US disclosed
US-20060052434-A1 Pyrrolizine compounds useful as anti-inflammatory agents CEREP S.A. (FR) 2006-03-09 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-20060052434-A1 Pyrrolizine compounds useful as anti-inflammatory agents NFKBIA, TNF, NFKB1 ARG1 6/4885ARG2 54/4885CTSC 2647/4885

“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.