SCHEMBL17796159

SCHEMBL17796159

CC(C)(C)OC(=O)N1CCC(CNCc2ccccc2N)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
PKM P14618 1/20 0.64
TGFBR1 P36897 7/20 0.50
KDM1A O60341 1/20 0.48
GPR119 Q8TDV5 4/20 0.48
HTR6 P50406 1/20 0.48
STS P08842 2/20 0.47
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45

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
SCHEMBL4326217 0.86 KDM4E (0.60) KDM4EPKMTGFBR1KDM1AGPR119
SCHEMBL31184445 0.85 KDM4E (0.53) KDM4EPKMGPR119STSPTPN2
SCHEMBL2604335 0.85 KDM4E (0.53) KDM4EPKMGPR119STSPTPN2
SCHEMBL7985552 0.83 KDM4E (0.69) KDM4EPKMTGFBR1KDM1AGPR119
SCHEMBL17796229 0.83 KDM4E (0.72) KDM4EPKMTGFBR1KDM1AGPR119
SCHEMBL22716661 0.83 KDM4E (0.61) KDM4EPKMTGFBR1KDM1AGPR119
SCHEMBL30703662 0.83 KDM4E (0.61) KDM4EPKMTGFBR1KDM1AGPR119
SCHEMBL17796140 0.83 KDM4E (0.56) KDM4EPKMTGFBR1KDM1AGPR119
SCHEMBL17796145 0.82 CXCR4 (0.48) KDM4EPKM
SCHEMBL18928181 0.81 USP30 (0.53) KDM4EPKMGPR119

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-9771351-B2 Wnt signaling inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-09-26 US disclosed
US-20160168125-A1 WNT SIGNALING INHIBITOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-06-16 US disclosed
EP-3028703-A1 Wnt SIGNALING INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2016-06-08 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-20160168125-A1 WNT SIGNALING INHIBITOR WNT3A, WNT1, WNT3 KDM4E 1585/4885PKM 4368/4885TGFBR1 234/4885

“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.