SCHEMBL5986789

SCHEMBL5986789

CCCN(C(=O)N(C)CC1CCOCC1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.34
RORC P51449 1/20 0.34
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 2/20 0.32
PKM P14618 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
KCNK3 O14649 1/20 0.31
CCR5 P51681 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5986635 0.84 PIK3CD (0.37) PIK3CDNSD2RORCCNR2PKM
SCHEMBL5987903 0.77 PIK3CD (0.41) PIK3CDKDM4ENSD2RORCPKM
SCHEMBL7602395 0.73 PIK3CD (0.38) PIK3CDNSD2RORCNPC1RAB9A
SCHEMBL27311621 0.73 SLC6A4 (0.35) PIK3CDPKMALDH1A1PTGS1PTGS2
SCHEMBL5987793 0.73 L3MBTL1 (0.43) PIK3CDKMT2APKMALDH1A1PTGS1
SCHEMBL13246056 0.73 KDM4E (0.45) PIK3CDKDM4EKMT2ANPC1GAA
SCHEMBL5988002 0.72 PIK3CD (0.43) PIK3CDKDM4EKMT2ANPC1GAA
SCHEMBL5987892 0.72 NSD2 (0.40) PIK3CDNSD2PTGS1PTGS2
SCHEMBL7992320 0.71 PIK3CD (0.47) PIK3CDNPC1RAB9APTGS1PTGS2
SCHEMBL17624924 0.71 ALDH1A1 (0.44) KDM4EKMT2ANPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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 (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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 PIK3CD 3735/4885KDM4E 2766/4885NSD2 1689/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 PIK3CD 2497/4885KDM4E 2147/4885NSD2 1188/4885

“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.