SCHEMBL7604434

SCHEMBL7604434

CCCN(C(=O)c1ccc(F)cc1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.54
AGER Q15109 2/20 0.53
MTNR1A P48039 1/20 0.53
SLC6A4 P31645 1/20 0.52
KCNH2 Q12809 1/20 0.52
HSD17B10 Q99714 1/20 0.45
SLC6A9 P48067 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HSD11B1 P28845 2/20 0.44
MLYCD O95822 2/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR7 P34969 1/20 0.42
PDE6D O43924 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL10722512 0.84 HSD11B1 (0.56) AGERMTNR1ASLC6A4KCNH2SLC6A9
SCHEMBL13434159 0.84 SLC6A4 (0.58) AGERMTNR1ASLC6A4KCNH2PTGS1
SCHEMBL13911241 0.79 SLC6A4 (0.56) AGERMTNR1ASLC6A4KCNH2HSD11B1
SCHEMBL5986898 0.79 POLB (0.63) NSD2POLBAPEX1TDP1KMT2A
SCHEMBL9001743 0.79 HSD11B1 (0.52) AGERMTNR1ASLC6A4KCNH2SLC6A9
SCHEMBL13953521 0.78 HSD11B1 (0.51) AGERMTNR1ASLC6A4KCNH2SLC6A9
SCHEMBL13911269 0.77 AGER (0.56) AGERMTNR1ASLC6A4KCNH2HSD11B1
SCHEMBL15221192 0.76 MLYCD (0.67) MLYCDPOLBAPEX1TDP1HTR7
SCHEMBL10452251 0.76 HSD11B1 (0.60) AGERMTNR1ASLC6A4KCNH2SLC6A9
SCHEMBL5987992 0.76 POLB (0.58) NSD2POLBAPEX1TDP1KMT2A

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 NSD2 1689/4885AGER 2393/4885MTNR1A 774/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 NSD2 1188/4885AGER 1880/4885MTNR1A 461/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 NSD2 847/4885AGER 3260/4885MTNR1A 902/4885

“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.