SCHEMBL14090856

SCHEMBL14090856

CC(=N)NCCC[C@H](NC(=O)c1cccn(Cc2ccccc2-c2ccccc2C(C)C)c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.40
▸ KCNA5 P22460 2/20 0.40
▸ MAPT P10636 6/20 0.35
▸ NPSR1 Q6W5P4 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL14090837 0.85 BRD4 (0.49) C3AR1MAPTNPSR1MEN1KMT2A
SCHEMBL14090848 0.82 BRD4 (0.39) C3AR1MAPTNPSR1MEN1KMT2A
SCHEMBL4990804 0.82 C3AR1 (0.54) C3AR1KCNA5MAPTPOLBLMNA
SCHEMBL14090861 0.81 NPSR1 (0.42) C3AR1MAPTNPSR1MEN1KMT2A
SCHEMBL14090845 0.77 BRD4 (0.53) C3AR1MAPTMEN1KMT2AKDM4E
SCHEMBL14090857 0.76 NPSR1 (0.36) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL4987739 0.75 C3AR1 (0.57) C3AR1MAPTKDM4EPOLBLMNA
SCHEMBL4993925 0.75 C3AR1 (0.54) C3AR1MAPTKDM4EALDH1A1BRD4
SCHEMBL14090868 0.75 NPSR1 (0.36) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL4986322 0.75 C3AR1 (0.52) C3AR1MAPTKDM4EPOLBLMNA

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 1 patent. 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

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 1/4885KCNA5 2947/4885MAPT 4654/4885

“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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