SCHEMBL4800313

SCHEMBL4800313

O=C(C1CC1)C1(Cc2ccc(Br)cc2)CCCN1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
CXCR3 P49682 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
FPR3 P25089 3/20 0.34
FPR2 P25090 3/20 0.34
CYP2D6 P10635 3/20 0.33
KCNH2 Q12809 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
SCHEMBL1816048 0.83 SLC6A2 (0.44) HRH3SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL4849081 0.83 SLC6A2 (0.44) HRH3SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL4800534 0.82 SLC6A2 (0.42) HRH3SLC6A2SLC6A4SLC6A3CXCR3
SCHEMBL4847242 0.80 SLC6A2 (0.40) HRH3SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL4847243 0.80 SLC6A2 (0.40) HRH3SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL14254704 0.76 FPR2 (0.44) HRH3SLC6A2SLC6A4SLC6A3CXCR3
SCHEMBL27482371 0.72 MME (0.36) HRH3SLC6A2SLC6A4SLC6A3CXCR3
SCHEMBL11234764 0.70 HRH3 (0.56) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1819135 0.70 HRH3 (0.56) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL10956783 0.69 SLC6A2 (0.56) HRH3SLC6A2SLC6A4SLC6A3CYP2D6

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 HRH3 618/4885SLC6A2 4879/4885SLC6A4 4776/4885

“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.