SCHEMBL16645155

SCHEMBL16645155

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC(=O)[C@H](C)NC(=O)CCN)OC)N(C)C(C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.44
CYP3A4 P08684 1/20 0.39
SSTR2 P30874 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA1 P02708 3/20 0.36
CHRNG P07510 3/20 0.36
CHRNB1 P11230 3/20 0.36
CHRND Q07001 3/20 0.36
ACE P12821 4/20 0.36
ACE2 Q9BYF1 4/20 0.36
FOLH1 Q04609 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
SCHEMBL19542059 0.93 REN (0.46) RENCYP3A4SSTR2CHRNB2CHRNB4
SCHEMBL16645013 0.92 REN (0.40) RENCYP3A4SSTR2ACEACE2
SCHEMBL16645055 0.91 CYP3A4 (0.44) RENCYP3A4SSTR2FOLH1
SCHEMBL19750458 0.90 REN (0.48) RENCYP3A4SSTR2CHRNB2CHRNB4
SCHEMBL25000824 0.88 CYP3A4 (0.40) RENCYP3A4SSTR2CHRNB2CHRNB4
SCHEMBL16645135 0.87 REN (0.43) RENCYP3A4CHRNB2CHRNB4CHRNA3
SCHEMBL26535455 0.87 CYP3A4 (0.39) RENCYP3A4SSTR2ACEACE2
SCHEMBL26537727 0.86 CYP3A4 (0.44) RENCYP3A4SSTR2ACEACE2
SCHEMBL20224794 0.86 CYP3A4 (0.44) RENCYP3A4SSTR2FOLH1
SCHEMBL20224792 0.86 CYP3A4 (0.45) RENCYP3A4SSTR2FOLH1

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-20150104407-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2015-04-16 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-20150104407-A1 PROTEIN-POLYMER-DRUG CONJUGATES PBRM1, STAMBP, TSPO REN 4162/4885CYP3A4 3343/4885SSTR2 4649/4885

“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.