SCHEMBL72862

SCHEMBL72862

CCc1cccc(CC)c1-c1nc(C)c(CCc2cc(C(C)C)ccc2C)c(N2CCN(CC(N)=O)C(C)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 15/20 0.50
CHRM1 P11229 4/20 0.32
SLC6A9 P48067 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM3 P20309 2/20 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
SCHEMBL73590 0.93 C5AR1 (0.44) C5AR1SLC6A9
SCHEMBL61870 0.87 C5AR1 (0.48) C5AR1
SCHEMBL72296 0.82 C5AR1 (0.36) C5AR1
SCHEMBL62140 0.81 C5AR1 (0.54) C5AR1
SCHEMBL62072 0.81 C5AR1 (0.54) C5AR1
SCHEMBL62946 0.80 C5AR1 (0.43) C5AR1SLC6A9
SCHEMBL72814 0.79 C5AR1 (0.40) C5AR1
SCHEMBL72378 0.79 C5AR1 (0.49) C5AR1
SCHEMBL61822 0.76 C5AR1 (0.45) C5AR1
SCHEMBL62870 0.76 C5AR1 (0.48) C5AR1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
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-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 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 (1 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-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 C5AR1 2/4885CHRM1 291/4885SLC6A9 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.