SCHEMBL3980865

SCHEMBL3980865

CC(C)(C)OC(=O)N1CCC(CNc2ccc(Cl)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
SYK P43405 1/20 0.50
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
GPR119 Q8TDV5 4/20 0.48
TGFBR1 P36897 4/20 0.47
BCDIN3D Q7Z5W3 1/20 0.47
NR3C1 P04150 1/20 0.46
BRD4 O60885 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 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
SCHEMBL3083337 0.85 KDM4E (0.58) KDM4EPKMALDH1A1NPC1MAPT
SCHEMBL28037394 0.83 KDM4E (0.49) KDM4EPKMSYKALDH1A1NPC1
SCHEMBL3987599 0.83 GRIN2B (0.46) CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL5403405 0.81 KDM4E (0.54) KDM4EPKMALDH1A1NPC1MAPT
SCHEMBL15539667 0.81 FPR2 (0.61) KDM4EPKMALDH1A1NPC1MAPT
SCHEMBL12205335 0.81 KDM4E (0.55) KDM4EPKMSYKPTPN2PTPN1
SCHEMBL12258638 0.81 KDM4E (0.58) KDM4EPKMALDH1A1NPC1MAPT
SCHEMBL6148442 0.81 CYP2D6 (0.64) KDM4EPKMMAPTPTPN2PTPN1
SCHEMBL3087666 0.80 KDM4E (0.70) KDM4EPKMPTPN2PTPN1PTPN6
SCHEMBL29492796 0.80 IDO1 (0.49) KDM4EPKMSYKGPR119TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 KDM4E 4829/4885PKM 4109/4885SYK 3173/4885

“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.