SCHEMBL4989716

SCHEMBL4989716

N=C(N)NCCC[C@H](NC(=O)c1cccn(CC(c2ccccc2)c2ccccc2)c1=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 10/20 0.51
▸ BRD4 O60885 2/20 0.40
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL4992177 0.91 C3AR1 (0.50) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL14090758 0.87 C3AR1 (0.56) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4989795 0.87 C3AR1 (0.56) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4989846 0.87 C3AR1 (0.56) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4991622 0.85 C3AR1 (0.45) C3AR1
SCHEMBL4566055 0.85 C3AR1 (0.45) C3AR1
SCHEMBL4990514 0.85 C3AR1 (0.54) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4990593 0.85 C3AR1 (0.49) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4993499 0.85 C3AR1 (0.55) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4994343 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.

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