SCHEMBL3733259

SCHEMBL3733259

CCOC(=O)Cn1ccc(C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 3/20 0.48
PIN1 Q13526 1/20 0.46
PIN4 Q9Y237 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9192984 0.78 AKR1B1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL8378442 0.77 ALDH1A1 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL2824399 0.76 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL1126874 0.75 CA12 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL5693218 0.75 ALDH1A1 (0.52) ALDH1A1PIN1PIN4GSK3AGSK3B
SCHEMBL793535 0.75
Bromide SCHEMBL11623597 0.75 CA12 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL31255464 0.73 ALDH1A1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL3734570 0.72 RAB9A (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL16984016 0.72 ALDH1A1 (0.35) ALDH1A1RAB9ASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
CN-1910151-A Cyclic amine derivative with heteroaryl ring SANKYO CO (JP) 2007-02-07 CN disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 CA12 3159/4885CA1 1874/4885CA2 1696/4885

“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.