SCHEMBL12626538

SCHEMBL12626538

CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 20/20 0.86

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
SCHEMBL12626734 0.98 KISS1R (0.90) KISS1R
SCHEMBL12624944 0.98 KISS1R (0.90) KISS1R
SCHEMBL13874924 0.98 KISS1R (0.90) KISS1R
SCHEMBL29560920 0.98 KISS1R (0.90) KISS1R
SCHEMBL12624708 0.98 KISS1R (0.90) KISS1R
SCHEMBL13892031 0.98 KISS1R (0.90) KISS1R
SCHEMBL12624943 0.96 KISS1R (0.87) KISS1R
SCHEMBL12625590 0.96 KISS1R (0.87) KISS1R
SCHEMBL13892025 0.96 KISS1R (0.86) KISS1R
SCHEMBL12625846 0.96 KISS1R (0.86) KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404643-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-26 — — US disclosed
US-7960348-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 — — US disclosed
US-20100331520-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-30 — — US disclosed
US-20090105152-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
US-20090099334-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-16 — — US disclosed
US-20090099334-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-16 — — US disclosed
US-20090093615-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-09 — — 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 (4 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-20090099334-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA KISS1R 96/4885
US-20100331520-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA KISS1R 96/4885
US-20090093615-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA KISS1R 96/4885
US-20090105152-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA KISS1R 96/4885

“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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