SCHEMBL16509040

SCHEMBL16509040

CN[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(N)=O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.58
▸ NPY1R P25929 10/20 0.58
▸ NPY5R Q15761 9/20 0.58
▸ TFPI P10646 1/20 0.57
▸ NPY2R P49146 6/20 0.54
▸ IL23R Q5VWK5 3/20 0.52

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
SCHEMBL16509077 0.89 NPY4R (0.57) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL16509135 0.88 IL23R (0.57) NPY4RNPY1RNPY5RTFPIIL23R
SCHEMBL16509008 0.88 IL23R (0.57) NPY4RNPY1RNPY5RTFPIIL23R
SCHEMBL16508128 0.84 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16508137 0.84 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29353517 0.84 TFPI (0.57) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL16508036 0.84 NPY4R (0.70) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL16509090 0.83 TFPI (0.60) TFPIIL23R
SCHEMBL16507911 0.83 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16507904 0.83 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R

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-20110301087-A1 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — 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-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 NPY4R 109/4885NPY1R 47/4885NPY5R 149/4885

“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.

Send feedback