SCHEMBL18758140

SCHEMBL18758140

CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)CCCCNC(=N)N

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 17/20 0.59
NPY1R P25929 11/20 0.59
NPY5R Q15761 9/20 0.59
NPY2R P49146 7/20 0.59
DPP7 Q9UHL4 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40

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
SCHEMBL241711 0.90 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL241712 0.90 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL29947137 0.86 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29947151 0.86 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2R
Acetic Acid SCHEMBL9189505 0.86 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL18758146 0.86 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R
Acetic Acid SCHEMBL9189488 0.86 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13707502 0.86 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30958046 0.86 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3138301 0.86 NPY4R (0.58) 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-20170107255-A1 APELIN POLYPEPTIDES AMGEN INC. (US) 2017-04-20 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-20170107255-A1 APELIN POLYPEPTIDES APLNR, FABP3, AP3B1 NPY4R 847/4885NPY1R 781/4885NPY5R 784/4885

“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.