SCHEMBL8991433

SCHEMBL8991433

CCC(C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)N[C@H](CCC(N)=O)CN[C@@H]1CCCC[C@@H](C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BECN1 Q14457 13/20 0.63
KCNMA1 Q12791 1/20 0.53
KCNMB4 Q86W47 1/20 0.53
INSR P06213 1/20 0.53
ALB P02768 1/20 0.52
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
NPY4R P50391 1/20 0.51
NPY5R Q15761 1/20 0.51
KEAP1 Q14145 1/20 0.51
RXFP4 Q8TDU9 1/20 0.50
RXFP3 Q9NSD7 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50

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
SCHEMBL8991534 0.95 BECN1 (0.59) BECN1KCNMA1KCNMB4INSRALB
SCHEMBL17236232 0.95 BECN1 (0.70) BECN1KCNMA1KCNMB4INSRALB
SCHEMBL14654850 0.92 BECN1 (0.67) BECN1KCNMA1KCNMB4INSRALB
SCHEMBL17236230 0.91 BECN1 (0.66) BECN1KCNMA1KCNMB4INSRALB
SCHEMBL29352842 0.91 BECN1 (0.63) BECN1KCNMA1KCNMB4INSRALB
SCHEMBL29470903 0.74 TFPI (0.64)
SCHEMBL31437676 0.73 NPY4R (0.60) NPY1RNPY2RNPY4RNPY5R
SCHEMBL12359225 0.70 TFPI (0.61)
SCHEMBL13342836 0.70 TFPI (0.61)
SCHEMBL2881677 0.70 TFPI (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-8188217-B2 2012-05-29 US disclosed
US-8188217-B2 2012-05-29 US disclosed
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds MONASH UNIVERSITY (AU) 2010-02-11 US disclosed
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds MONASH UNIVERSITY (AU) 2010-02-11 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-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds DCLRE1A, RNF168, MTCL3 BECN1 1272/4885KCNMA1 2370/4885KCNMB4 2169/4885

“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.