SCHEMBL2190402

SCHEMBL2190402

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 2/20 0.40
CAPN1 P07384 5/20 0.39
GRB2 P62993 1/20 0.39
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
CTSB P07858 1/20 0.37
OPRM1 P35372 3/20 0.37
CXCR4 P61073 1/20 0.37
BDKRB2 P30411 1/20 0.36
OPRK1 P41145 2/20 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
SCHEMBL2183915 0.95 DPP7 (0.42) NRP1DPP4DPP8DPP9DPP7
SCHEMBL31099289 0.87 NRP1 (0.51) NRP1GRB2OPRM1BDKRB2
SCHEMBL29416313 0.85 OPRM1 (0.41) NRP1OPRM1OPRK1
SCHEMBL7429641 0.84 OPRM1 (0.37) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL7429652 0.84 OPRM1 (0.37) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL2183031 0.84 OPRM1 (0.51) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL31511423 0.83 NRP1 (0.49) NRP1GRB2DPP4DPP8DPP9
SCHEMBL30128378 0.83 NRP1 (0.49) NRP1GRB2DPP4DPP8DPP9
SCHEMBL29853254 0.83 NRP1 (0.47) NRP1GRB2OPRM1
SCHEMBL31487190 0.83 NRP1 (0.47) NRP1GRB2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2019-03-07 US disclosed
US-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 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 (3 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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP NRP1 635/4885CAPN1 2889/4885GRB2 936/4885
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP NRP1 635/4885CAPN1 2889/4885GRB2 936/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS NRP1 380/4885CAPN1 1090/4885GRB2 554/4885

“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.