SCHEMBL4993908

SCHEMBL4993908

CC(=N)NCCC[C@H](NC(=O)c1cccn(Cc2cc(Br)cc(Br)c2)c1=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.50
BRD4 O60885 2/20 0.46
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL4989531 0.93 C3AR1 (0.49) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4987936 0.92 C3AR1 (0.51) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4986830 0.91 BRD4 (0.48) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4986504 0.90 BRD4 (0.58) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4993174 0.89 SMN1; SMN2 (0.46) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4426839 0.86 C3AR1 (0.47) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4994923 0.86 KMT2A (0.52) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4993655 0.86 CNR1 (0.52) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4993983 0.85 C3AR1 (0.57) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4996823 0.84 C3AR1 (0.53) C3AR1BRD4BRD2BRD3BRDT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 C3AR1 1/4885BRD4 2776/4885BRD2 4008/4885

“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.