SCHEMBL5987903

SCHEMBL5987903

CCCN(C(=O)CC1CCOCC1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
NSD2 O96028 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADH1A P07327 3/20 0.32
ADH1C P00326 2/20 0.32
RORC P51449 1/20 0.31
SLC6A4 P31645 2/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 3/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SLC6A2 P23975 1/20 0.30
ADH4 P08319 1/20 0.30
PYGL P06737 1/20 0.30
BTK Q06187 1/20 0.30
PKM P14618 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
SCHEMBL5987892 0.91 NSD2 (0.40) PIK3CDNSD2PTGS1PTGS2ADH1A
SCHEMBL13434155 0.83 ADH1A (0.43) ADH1AADH1CHPGDPYGL
SCHEMBL7602407 0.82 ADH1A (0.33) PTGS1PTGS2ADH1AADH1CSLC6A4
SCHEMBL5987791 0.81 RORC (0.33) PIK3CDRORC
SCHEMBL5987593 0.79 GRM1 (0.38) PTGS1PTGS2ADH1AADH1CSLC6A4
SCHEMBL5986515 0.78 PTGS1 (0.34) PTGS1PTGS2ADH1AADH1CRORC
SCHEMBL5986622 0.78 PTGS1 (0.32) PTGS1PTGS2ADH1AADH1C
SCHEMBL7602395 0.77 PIK3CD (0.38) PIK3CDNSD2PTGS1PTGS2RORC
SCHEMBL5986789 0.77 PIK3CD (0.38) PIK3CDNSD2PTGS1PTGS2RORC
SCHEMBL5987793 0.77 L3MBTL1 (0.43) PIK3CDPTGS1PTGS2ADH1AADH1C

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 3735/4885NSD2 1689/4885PTGS1 343/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 PIK3CD 2497/4885NSD2 1188/4885PTGS1 333/4885

“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.