SCHEMBL4388053

SCHEMBL4388053

CC(C)(C)OC(=O)N1CCC(N2CCN(CCCOCc3ccccc3)C2=C(C#N)C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
STS P08842 1/20 0.42
GPR119 Q8TDV5 3/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
YAP1 P46937 3/20 0.39
TEAD3 Q99594 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PRMT5 O14744 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
SCHEMBL4394012 0.82 MEN1 (0.37) TEAD3
SCHEMBL4388977 0.81 TP53 (0.42) TP53GPR119
SCHEMBL4382296 0.80 HRH3 (0.53) TP53GPR119
SCHEMBL5504095 0.77 TEAD3 (0.50) STSGPR119JAK2JAK1KDM4E
SCHEMBL4387707 0.76 TP53 (0.43) TP53GPR119KDM4EPKM
SCHEMBL3251863 0.74 KDM4E (0.58) STSGPR119JAK2JAK1KDM4E
SCHEMBL31303428 0.73 STS (0.52) STSGPR119JAK2JAK1KDM4E
SCHEMBL13096781 0.73 STS (0.52) STSGPR119JAK2JAK1KDM4E
SCHEMBL22284358 0.72 STS (0.56) STSGPR119JAK2JAK1KDM4E
SCHEMBL20133355 0.72 STS (0.51) STSGPR119JAK2JAK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 TP53 2329/4885STS 4005/4885GPR119 1988/4885

“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.