SCHEMBL10109756

SCHEMBL10109756

Cc1nc(CC(C)(C)C)c(C)s1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
GNRHR P30968 1/20 0.30

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
SCHEMBL20425980 0.78 KMT2A (0.34)
SCHEMBL6760698 0.73
SCHEMBL20498123 0.71
SCHEMBL5543974 0.71
SCHEMBL16781846 0.71
SCHEMBL10123483 0.70 SLC6A3 (0.38) SLC6A3
Hydrochloric Acid SCHEMBL5013629 0.70 SLC6A3 (0.38) SLC6A3
SCHEMBL11985523 0.70 GAA (0.36) SLC6A3
SCHEMBL12776065 0.69 DPP4 (0.33)
SCHEMBL2089836 0.68 SLC6A3 (0.37) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA S.A. (CH) 2014-11-27 US disclosed
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 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 (2 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-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM5 SLC6A3 286/4885GNRHR 533/4885
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SLC6A3 349/4885GNRHR 681/4885

“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.