SCHEMBL6501271

SCHEMBL6501271

O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2Cl)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.70
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
GLA P06280 1/20 0.67
GAA P10253 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
HRH4 Q9H3N8 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HPGD P15428 2/20 0.60
TP53 P04637 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53

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
Befuraline SCHEMBL499156 0.87 GRIN2B (0.91) GRIN2BALDH1A1MEN1KMT2AGLA
Befuraline SCHEMBL30036410 0.87 GRIN2B (0.91) GRIN2BALDH1A1MEN1KMT2AGLA
SCHEMBL4991177 0.86 GRIN2B (0.77) GRIN2BALDH1A1MEN1KMT2AGLA
Befuraline SCHEMBL4320804 0.85 GRIN2B (0.88) GRIN2BALDH1A1MEN1KMT2AGLA
SCHEMBL29078102 0.79 GRIN2B (0.69) GRIN2BALDH1A1MEN1KMT2AGLA
SCHEMBL16599028 0.79 ALDH1A1 (0.78) GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL30518143 0.79 GRIN2B (0.69) GRIN2BALDH1A1MEN1KMT2AGLA
SCHEMBL16598855 0.77 GRIN2B (0.71) GRIN2BALDH1A1MEN1KMT2AGLA
SCHEMBL967229 0.76 ALDH1A1 (0.74) GRIN2BALDH1A1MEN1KMT2AGLA
SCHEMBL19864572 0.76 ALDH1A1 (1.00) GRIN2BALDH1A1MEN1KMT2AGLA

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-20050192288-A1 Benzofuran-2-yl-carbonyl- and indol-2-yl-carbonyl-trans-2,5-dimethyl-piperazine derivatives; rheumatoid arthritis, multiple sclerosis, systemic lupus erythematosus, inflammatory bowel disease, asthma; inhibit the interaction between inflammatory chemokines and their receptor ACTIVE BIOTECH AB (SE) 2005-09-01 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-20050192288-A1 Benzofuran-2-yl-carbonyl- and indol-2-yl-carbonyl-trans-2,5-dimethyl-piperazine derivatives; rheumatoid arthritis, multiple sclerosis, systemic lupus erythematosus, inflammatory bowel disease, asthma; inhibit the interaction between inflammatory chemokines and their receptor CXCR1, CCR2, CXCR5 GRIN2B 2582/4885ALDH1A1 2999/4885MEN1 2106/4885

“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.