SCHEMBL4989893

SCHEMBL4989893

N=C(N)NCCC[C@H](NC(=O)c1cccn(-c2ccc3ccccc3c2)c1=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 3/20 0.42
▸ PYGL P06737 5/20 0.37
▸ TGM2 P21980 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.36
▸ PIN1 Q13526 2/20 0.35
▸ MC4R P32245 1/20 0.35
▸ MC3R P41968 1/20 0.35
▸ MC1R Q01726 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ FOLH1 Q04609 2/20 0.34
▸ POLR1A O95602 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL4994131 0.90 C3AR1 (0.47) C3AR1FOLH1
SCHEMBL4992093 0.89 C3AR1 (0.45) C3AR1CAPN1FOLH1
SCHEMBL4993059 0.84 C3AR1 (0.51) C3AR1TGM2MC4RMC3RMC1R
SCHEMBL4986604 0.80 C3AR1 (0.53) C3AR1PYGLCYP2C9
SCHEMBL4991417 0.80 C3AR1 (0.46) C3AR1FOLH1
SCHEMBL14090857 0.80 NPSR1 (0.36) TGM2KCNH2POLR1A
SCHEMBL4989795 0.79 C3AR1 (0.56) C3AR1
SCHEMBL4989846 0.79 C3AR1 (0.56) C3AR1
SCHEMBL4566055 0.79 C3AR1 (0.45) C3AR1
SCHEMBL14090758 0.79 C3AR1 (0.56) C3AR1

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 1/4885PYGL 1070/4885TGM2 4186/4885

“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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