SCHEMBL12340430

SCHEMBL12340430

CN[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 3/20 0.37
▸ NPY4R P50391 9/20 0.35
▸ NPY5R Q15761 6/20 0.35
▸ NPY1R P25929 6/20 0.35
▸ NPY2R P49146 3/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ HASPIN Q8TF76 1/20 0.34
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ KISS1R Q969F8 2/20 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
SCHEMBL10303447 0.91 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2RMMP1
SCHEMBL10303439 0.83 MMP1 (0.42) NPY4RNPY5RNPY1RNPY2RMMP1
SCHEMBL12340429 0.83 IL23R (0.39) IL23RNPY4RNPY5RNPY1RNPY2R
SCHEMBL10303451 0.82 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2RMMP1
SCHEMBL12340423 0.81 NPY4R (0.48) IL23RNPY4RNPY5RNPY1RNPY2R
SCHEMBL13248708 0.81 NPY4R (0.55) IL23RNPY4RNPY5RNPY1RNPY2R
SCHEMBL12340421 0.81 NPY4R (0.48) IL23RNPY4RNPY5RNPY1RNPY2R
SCHEMBL12340435 0.81 NPY4R (0.55) IL23RNPY4RNPY5RNPY1RNPY2R
SCHEMBL12340422 0.81 NPY4R (0.47) IL23RNPY4RNPY5RNPY1RNPY2R
SCHEMBL10303436 0.80 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RMMP1

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-8268784-B2 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof HOFFMANN-LA ROCHE INC. (US) 2012-09-18 — — US disclosed
US-8268784-B2 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof HOFFMANN-LA ROCHE INC. (US) 2012-09-18 — — US disclosed
US-20100137223-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF CONDE-KNAPE KARIN 2010-06-03 — — US disclosed
US-20100137223-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF CONDE-KNAPE KARIN 2010-06-03 — — 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-20100137223-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF NPY2R, NPY1R, NPY5R IL23R 428/4885NPY4R 4/4885NPY5R 3/4885

“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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