SCHEMBL3563449

SCHEMBL3563449

NC(=O)OC1CC(c2cc(NC(=O)C3CCCCC3)[nH]n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
FOXO1 Q12778 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
ABL1 P00519 1/20 0.36
ULK1 O75385 2/20 0.35
POLB P06746 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 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
SCHEMBL6391267 0.86 HTT (0.43) SMN1; SMN2ALOX15HTTADORA1ADORA2A
SCHEMBL6391269 0.86 HTT (0.43) SMN1; SMN2ALOX15HTTADORA1ADORA2A
SCHEMBL6391272 0.84 ALOX15 (0.44) SMN1; SMN2ALOX15HTTADORA1ADORA2A
SCHEMBL3562662 0.83 ADORA3 (0.43) SMN1; SMN2ADORA1ADORA2AADORA3KMT2A
SCHEMBL3557894 0.80 ALDH1A1 (0.44) ADORA1ADORA2AFOXO1NPSR1ADORA3
SCHEMBL3557896 0.80 ALDH1A1 (0.44) ADORA1ADORA2AFOXO1NPSR1ADORA3
SCHEMBL3556396 0.79 ALOX15 (0.46) SMN1; SMN2ALOX15HTTADORA1ADORA2A
SCHEMBL3257632 0.79 ALOX15 (0.46) SMN1; SMN2ALOX15HTTADORA1ADORA2A
SCHEMBL3565829 0.79 CCR2 (0.34) ADORA1CDK2
SCHEMBL3256189 0.78 MEN1 (0.47) SMN1; SMN2ALOX15HTTADORA1ADORA2A

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-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP SMN1; SMN2 3262/4885ALOX15 3189/4885HTT 2615/4885

“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.