SCHEMBL7603260

SCHEMBL7603260

CCCN(C(=O)Cc1cncc(Cl)c1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.41
FNTA P49354 6/20 0.39
FNTB P49356 6/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPA1 O75762 1/20 0.37
HSD11B1 P28845 1/20 0.35
CCR5 P51681 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP11B2 P19099 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL13434180 0.82 MEN1 (0.41) PYGLFNTAFNTBMEN1KMT2A
SCHEMBL5986720 0.81 EPHX2 (0.47) PYGLHSD11B1CCR5SLC6A2SLC6A4
SCHEMBL5988239 0.80 MEN1 (0.50) PYGLMEN1KMT2ACCR5OPRM1
SCHEMBL7604466 0.80 CCR5 (0.42) PYGLMEN1KMT2AHSD11B1CCR5
SCHEMBL5986740 0.78 FNTA (0.52) FNTAFNTBKMT2ACCR5
SCHEMBL5987551 0.77 KMT2A (0.45) MEN1KMT2ATRPA1CCR5SLC6A2
SCHEMBL13434177 0.77 FNTA (0.47) FNTAFNTBMEN1KMT2ACCR5
SCHEMBL5987399 0.76 SIGMAR1 (0.48) MEN1KMT2ACCR5OPRM1
SCHEMBL13434093 0.74 CCR5 (0.53) MEN1KMT2ACCR5SLC6A4OPRM1
SCHEMBL7604446 0.72 CCR5 (0.42) MEN1KMT2ACCR5SLC6A2SLC6A4

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 8 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

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 PYGL 4424/4885FNTA 4402/4885FNTB 3539/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 PYGL 4173/4885FNTA 4410/4885FNTB 4357/4885

“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.