SCHEMBL4229356

SCHEMBL4229356

O=C(O)N1CCC(Nc2ccc(CO)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.48
NOS2 P35228 6/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
JAK3 P52333 3/20 0.42
PRKAA2 P54646 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
NOS1 P29475 5/20 0.42
NOS3 P29474 3/20 0.42
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL4226337 0.92 CCNK (0.43) HCAR3NOS2JAK3PRKAA2JAK2
SCHEMBL4219722 0.85 HCAR3 (0.45) HCAR3JAK3JAK2CCNKCDK12
SCHEMBL4223312 0.84 FAAH (0.53)
SCHEMBL4230600 0.82 NOS3 (0.57) NOS2PRKAA2NOS1NOS3CCNK
SCHEMBL4222650 0.81 HCAR3 (0.49) HCAR3NOS2JAK3NOS1NOS3
SCHEMBL1460502 0.81 CCR6 (0.54) HCAR3NOS2NOS1NOS3CCNK
SCHEMBL4218644 0.81 ACHE (0.58) PRKAA2HRH3
SCHEMBL8104999 0.80 HCAR3 (0.56) HCAR3CYP11B1CYP11B2
SCHEMBL1577712 0.78 WNT3A (0.40) HRH3
SCHEMBL28767580 0.78 USP30 (0.52) JAK1

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-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 HCAR3 137/4885NOS2 3761/4885CYP11B1 1468/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 HCAR3 148/4885NOS2 3815/4885CYP11B1 1663/4885

“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.