SCHEMBL4802125

SCHEMBL4802125

CCC(=O)C1(Cc2ccc(Br)cc2)C[C@@H](O)CN1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.34
ARG2 P78540 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
FPR2 P25090 4/20 0.33
FPR3 P25089 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CXCR3 P49682 1/20 0.30
BACE1 P56817 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30

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
SCHEMBL5654938 0.85 ARG1 (0.45) ARG1ARG2ALDH1A1HTTMEN1
SCHEMBL7091788 0.85 ARG1 (0.45) ARG1ARG2ALDH1A1HTTMEN1
SCHEMBL14526212 0.83 ADAM17 (0.37) ARG1ARG2ALDH1A1HTTMEN1
SCHEMBL4800534 0.76 SLC6A2 (0.42) MEN1KMT2ASMN1; SMN2CXCR3MME
SCHEMBL14254721 0.69 KMT2A (0.39) ALDH1A1HTTMEN1KMT2AKDM1A
SCHEMBL4799890 0.68 ARG1 (0.42) ARG1ARG2HTTGAA
SCHEMBL4800313 0.64 HRH3 (0.43) FPR2FPR3MEN1KMT2APOLB
SCHEMBL17478588 0.63 MAPT (0.38) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL14254704 0.62 FPR2 (0.44) ALDH1A1FPR2MEN1KMT2APOLB
SCHEMBL4847242 0.62 SLC6A2 (0.40) ALDH1A1HTTFPR2SMN1; SMN2PROKR1

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 54/4885ALDH1A1 2590/4885

“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.