SCHEMBL10168301

SCHEMBL10168301

CC(C)C[C@H](NC[C@@H](C)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 15/20 0.58
▸ ECE1 P42892 3/20 0.57
▸ ERAP2 Q6P179 2/20 0.51
▸ IL1RN P18510 1/20 0.51

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
SCHEMBL30464865 0.91 NPY4R (0.61) KISS1RECE1ERAP2
SCHEMBL10168837 0.89 ECE1 (0.62) KISS1RECE1
SCHEMBL30464857 0.88 NPY4R (0.61) KISS1RECE1
SCHEMBL30436748 0.88 KISS1R (0.60) KISS1RECE1
SCHEMBL14685610 0.88 KISS1R (0.62) KISS1RECE1
SCHEMBL3497693 0.87 KISS1R (0.62) KISS1RECE1
SCHEMBL29825066 0.86 NPY4R (0.61) KISS1R
SCHEMBL15896272 0.84 ECE1 (0.61) KISS1RECE1ERAP2IL1RN
SCHEMBL29794137 0.84 GHSR (0.57) KISS1RECE1
Glycine SCHEMBL3497691 0.84 KISS1R (0.58) KISS1RECE1

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-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 — — 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-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 KISS1R 1243/4885ECE1 2459/4885ERAP2 2287/4885

“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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