SCHEMBL5986901

SCHEMBL5986901

CCCN(C(=O)CCC1CC1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 2/20 0.33
SLC6A4 P31645 4/20 0.33
KCNH2 Q12809 1/20 0.33
MLYCD O95822 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC6A2 P23975 3/20 0.32
OPRM1 P35372 1/20 0.32
PYGL P06737 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL13434125 0.93 L3MBTL1 (0.39) DRD2DRD3KDM5AKDM4CPHF8
SCHEMBL5985502 0.81 SMYD3 (0.37) L3MBTL1PTGS1PTGS2PKMSLC6A4
SCHEMBL13434137 0.80 PKM (0.49) KDM5AKDM4CPHF8KDM2AL3MBTL1
SCHEMBL5986104 0.79 PTGS1 (0.32) L3MBTL1PTGS1PTGS2PKM
SCHEMBL18576497 0.79 OPRM1 (0.43) L3MBTL1PTGS1PTGS2SLC6A4KCNH2
SCHEMBL13434163 0.79 PKM (0.36) L3MBTL1PTGS1PTGS2PKMSLC6A4
SCHEMBL5987559 0.79 LTB4R2 (0.36) KDM5AKDM4CL3MBTL1PTGS1PTGS2
SCHEMBL13434162 0.77 LMNA (0.35) L3MBTL1PTGS1PTGS2PKMSLC6A4
SCHEMBL13434160 0.77 ALDH1A1 (0.52) KDM5AKDM4CL3MBTL1PTGS1PTGS2
SCHEMBL13434164 0.77 PKM (0.41) KDM5AKDM4CPKMALDH1A1

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 14 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
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 DRD2 129/4885DRD3 75/4885KDM5A 3149/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 DRD2 135/4885DRD3 90/4885KDM5A 2831/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 DRD2 187/4885DRD3 163/4885KDM5A 1645/4885

“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.