SCHEMBL3497693

SCHEMBL3497693

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 16/20 0.62
▸ NPBWR1 P48145 1/20 0.59
▸ ECE1 P42892 1/20 0.57
▸ GHSR Q92847 1/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55

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
SCHEMBL29657355 0.93 KISS1R (0.61) KISS1RECE1GHSR
SCHEMBL10168837 0.91 ECE1 (0.62) KISS1RECE1
SCHEMBL14685610 0.91 KISS1R (0.62) KISS1RNPBWR1ECE1
SCHEMBL30464865 0.89 NPY4R (0.61) KISS1RECE1NPY1RNPY2RNPY4R
SCHEMBL29825066 0.89 NPY4R (0.61) KISS1RNPBWR1GHSRNPY1RNPY2R
Glycine SCHEMBL3497691 0.89 KISS1R (0.58) KISS1RECE1
SCHEMBL29816038 0.88 ERAP2 (0.58) KISS1RNPBWR1
SCHEMBL31078370 0.88 NPBWR1 (0.57) KISS1RNPBWR1
SCHEMBL30436748 0.88 KISS1R (0.60) KISS1RECE1NPY1RNPY2RNPY4R
SCHEMBL30464857 0.88 NPY4R (0.61) KISS1RECE1NPY1RNPY2RNPY4R

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-20100160241-A1 NOVEL COMPOUND HAVING GPR54 AGONISTIC ACTIVITY KYOTO UNIVERSITY (JP) 2010-06-24 — — 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-20100160241-A1 NOVEL COMPOUND HAVING GPR54 AGONISTIC ACTIVITY GPR52, GPR84, GPR4 KISS1R 160/4885NPBWR1 222/4885ECE1 2310/4885

“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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