SCHEMBL4565586

SCHEMBL4565586

CC(C)(C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 7/20 0.47
▸ FNTA P49354 4/20 0.40
▸ FNTB P49356 4/20 0.40
▸ PGGT1B P53609 4/20 0.40
▸ LMNA P02545 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ MME P08473 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RRM1 P23921 1/20 0.37
▸ F7 P08709 1/20 0.36

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
SCHEMBL14090782 1.00 C3AR1 (0.47) C3AR1FNTAFNTBPGGT1BLMNA
SCHEMBL14091183 0.90 C3AR1 (0.43) C3AR1FNTAFNTBPGGT1BLMNA
SCHEMBL6801475 0.83 CNR1 (0.48) C3AR1FNTAFNTBPGGT1BLMNA
SCHEMBL6801482 0.83 CNR1 (0.48) C3AR1FNTAFNTBPGGT1BLMNA
SCHEMBL4552682 0.79 FOLH1 (0.40) C3AR1FOLH1MEN1KMT2A
SCHEMBL1724846 0.79 FOLH1 (0.40) C3AR1FOLH1MEN1KMT2A
SCHEMBL14090878 0.79 NPSR1 (0.50) MEN1KMT2AALDH1A1NPSR1
SCHEMBL31184339 0.78 FOLH1 (0.39) C3AR1FOLH1MEN1KMT2A
SCHEMBL29697124 0.78 C3AR1 (0.52) C3AR1FNTAFNTBPGGT1BFOLH1
SCHEMBL6801489 0.78 C3AR1 (0.61) C3AR1FNTAFNTBPGGT1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 — — EP 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
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 — — WO 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 1/4885FNTA 863/4885FNTB 2485/4885

“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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