SCHEMBL62270

SCHEMBL62270

CCCN(CCC)c1c(C)nc(-c2c(CC)cccc2CC)nc1N1CCN(CC(N)=O)C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.39
CRHR1 P34998 7/20 0.36
SLC6A9 P48067 2/20 0.30
HTR1A P08908 2/20 0.30
SLC6A4 P31645 2/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
KCNH2 Q12809 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
SCHEMBL72438 1.00 C5AR1 (0.39) C5AR1CRHR1SLC6A9HTR1ASLC6A4
SCHEMBL64357 0.79 CRHR1 (0.40) CRHR1
SCHEMBL72434 0.79 CRHR1 (0.40) CRHR1
SCHEMBL87705 0.78 CRHR1 (0.44) CRHR1
SCHEMBL72862 0.76 C5AR1 (0.50) C5AR1SLC6A9
SCHEMBL61870 0.74 C5AR1 (0.48) C5AR1
SCHEMBL62058 0.73 C5AR1 (0.41) C5AR1
SCHEMBL61195 0.72 C5AR1 (0.43) C5AR1
SCHEMBL61159 0.72 C5AR1 (0.42) C5AR1
SCHEMBL61302 0.72 C5AR1 (0.41) C5AR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 US claimed
CN-1976918-A 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORP (US) 2007-06-06 CN claimed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US claimed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 US disclosed
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 US disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 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-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 C5AR1 3/4885CRHR1 449/4885SLC6A9 3755/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 C5AR1 2/4885CRHR1 465/4885SLC6A9 3604/4885

“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.