SCHEMBL1999565

SCHEMBL1999565

O=[C]CCN1CCCNCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.57
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2C P18825 1/20 0.42
CCR2 P41597 1/20 0.42
CXCL12 P48061 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
RAD52 P43351 1/20 0.37

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
SCHEMBL1481713 0.92 POLB (0.61) CXCR4POLBSMN1; SMN2HRH3MEN1
SCHEMBL4087305 0.80
SCHEMBL678884 0.80
SCHEMBL23337601 0.80 CXCR4 (0.74) CXCR4POLBSMN1; SMN2HRH3MEN1
SCHEMBL5573157 0.80 CXCR4 (0.74) CXCR4POLBSMN1; SMN2HRH3MEN1
SCHEMBL18975385 0.80 POLB (0.84) CXCR4POLBSMN1; SMN2HRH3MEN1
SCHEMBL3956261 0.79 POLB (0.52) CXCR4POLBSMN1; SMN2HRH3CHRM2
SCHEMBL2000877 0.79 CXCR4 (0.50) CXCR4POLBSMN1; SMN2HRH3MEN1
Hydrochloric Acid SCHEMBL5569544 0.78 CXCR4 (0.71) CXCR4POLBSMN1; SMN2HRH3MEN1
SCHEMBL1036468 0.78 HRH3 (0.48) POLBSMN1; SMN2HRH3MEN1KMT2A

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 1392/4885POLB 4686/4885SMN1; SMN2 2399/4885

“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.