SCHEMBL3984822

SCHEMBL3984822

CC(C)(C)OC(=O)N1CCC(NCc2ccc(Cl)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.45
CCNT1 O60563 1/20 0.45
GPR119 Q8TDV5 3/20 0.45
USP30 Q70CQ3 2/20 0.45
STS P08842 3/20 0.44
EPHX1 P07099 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL16466490 0.88 USP30 (0.48) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL652849 0.85 HTT (0.57) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL336136 0.83 CCNT1 (0.46) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL3985988 0.83 KDM1A (0.48) ALDH1A1MAPTL3MBTL1EPHX1
SCHEMBL20037418 0.82 NAMPT (0.41) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL2793493 0.82 GPR119 (0.57) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL3982606 0.81 GPR119 (0.50) ALDH1A1TP53GPR119SMN1; SMN2NPSR1
SCHEMBL29495589 0.81 GPR119 (0.50) ALDH1A1TP53GPR119SMN1; SMN2NPSR1
SCHEMBL13398040 0.81 NAMPT (0.60) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL4139902 0.81 DNMT3A (0.56) ALDH1A1HTTNPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed
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 (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-20080103123-A1 New compounds GPR119, GPR139, GPR180 ALDH1A1 1431/4885HTT 2051/4885NPC1 597/4885
US-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 ALDH1A1 1436/4885HTT 2453/4885NPC1 318/4885

“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.