SCHEMBL5654938

SCHEMBL5654938

O=C(O)[C@]1(Cc2ccc(Br)cc2)C[C@@H](O)CN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.45
ARG2 P78540 2/20 0.45
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
MME P08473 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.31
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL7091788 1.00 ARG1 (0.45) ARG1ARG2KDM1ARCOR1ALDH1A1
SCHEMBL4802125 0.85 ARG1 (0.34) ARG1ARG2KDM1ARCOR1ALDH1A1
SCHEMBL14526212 0.84 ADAM17 (0.37) ARG1ARG2ALDH1A1HTTPOLB
SCHEMBL4799890 0.82 ARG1 (0.42) ARG1ARG2HTT
SCHEMBL4849081 0.74 SLC6A2 (0.44) ARG1ARG2MMENPC1HPGD
SCHEMBL1816048 0.74 SLC6A2 (0.44) ARG1ARG2MMENPC1HPGD
SCHEMBL27482371 0.69 MME (0.36) ARG1ARG2ALDH1A1MMEPOLB
SCHEMBL6523 0.66 MME (0.40) ALDH1A1MMEMAPTMEN1KMT2A
SCHEMBL6659083 0.66 FAAH (0.47) ALDH1A1HTTMEN1KMT2A
SCHEMBL7440413 0.66 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AHPGD

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-7199125-B2 Spiro-cyclic compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050119279-A1 Spiro-cyclic compounds useful as anti-inflammatory agents CEREP SA (FR) 2005-06-02 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-20050119279-A1 Spiro-cyclic compounds useful as anti-inflammatory agents CCR9, MSR1, CCR3 ARG1 330/4885ARG2 1047/4885KDM1A 2047/4885

“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.