SCHEMBL7602407

SCHEMBL7602407

CCCN(C(=O)CC1CCC(O)CC1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.33
ADH1C P00326 2/20 0.33
SLC6A4 P31645 4/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ADH4 P08319 1/20 0.31
SLC6A2 P23975 3/20 0.31
PYGL P06737 1/20 0.31
SLC6A3 Q01959 2/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL13434155 0.85 ADH1A (0.43) ADH1AADH1CPYGLDRD2DRD3
SCHEMBL5987593 0.84 GRM1 (0.38) ADH1AADH1CSLC6A4KCNH2ALDH1A1
SCHEMBL5987903 0.82 PIK3CD (0.41) ADH1AADH1CSLC6A4KCNH2PKM
SCHEMBL5986515 0.80 PTGS1 (0.34) ADH1AADH1CSLC6A4PTGS1PTGS2
SCHEMBL5987124 0.78 GRM1 (0.32) PYGL
SCHEMBL5987892 0.76 NSD2 (0.40) ADH1AADH1CPTGS1PTGS2
SCHEMBL5986622 0.76 PTGS1 (0.32) ADH1AADH1CPTGS1PTGS2
SCHEMBL18576497 0.76 OPRM1 (0.43) ADH1AADH1CSLC6A4KCNH2ALDH1A1
SCHEMBL5987978 0.76 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL5986901 0.76 DRD2 (0.35) SLC6A4KCNH2ALDH1A1PKMPTGS1

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 13 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
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
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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 (3 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 ADH1A 190/4885ADH1C 61/4885SLC6A4 1355/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 ADH1A 273/4885ADH1C 130/4885SLC6A4 649/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 ADH1A 80/4885ADH1C 45/4885SLC6A4 416/4885

“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.