SCHEMBL2000877

SCHEMBL2000877

O=[C]CN1CCCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 12/20 0.50
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2C P18825 1/20 0.44
CCR2 P41597 1/20 0.44
CXCL12 P48061 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
LMNA P02545 1/20 0.37
CHRM5 P08912 1/20 0.35
CHRM3 P20309 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
SCHEMBL23087845 0.96 CXCR4 (0.57) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL455500 0.91
SCHEMBL1999565 0.79 CXCR4 (0.57) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL4205876 0.78 CXCR4 (0.50) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL6537798 0.78 POLB (0.52) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL3252654 0.78
SCHEMBL678786 0.78
SCHEMBL1402742 0.77
SCHEMBL347536 0.76
SCHEMBL5803742 0.76 LMNA (0.55) MEN1CHRM2CHRM1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 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-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF CXCR4 1392/4885MEN1 2880/4885CHRM2 1063/4885

“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.