SCHEMBL3803282

SCHEMBL3803282

CC(C)c1ccc(C(C)N2CC(OS(C)(=O)=O)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.37
CHRM2 P08172 10/20 0.36
CHRM1 P11229 8/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
NAAA Q02083 1/20 0.34
CYP2D6 P10635 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9684294 0.88 CYP2D6 (0.49) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL3659567 0.78 BCHE (0.45) MEN1KMT2AALDH1A1
SCHEMBL977897 0.77 CYP3A4 (0.42) CHRM2CHRM1CYP2D6ALDH1A1
SCHEMBL11459022 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL70441 0.73 CYP2D6 (0.46) CHRM2CHRM1MEN1KMT2AHTR2A
SCHEMBL24238281 0.73 OPRM1 (0.42) CHRM2CHRM1MEN1KMT2AHTR2A
SCHEMBL24238344 0.73 OPRM1 (0.42) CHRM2CHRM1MEN1KMT2AHTR2A
SCHEMBL17621817 0.71 CYP2D6 (0.38) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL24238345 0.70 CYP2D6 (0.40) CHRM2CHRM1MEN1KMT2AHTR2A
SCHEMBL11468789 0.69 PIM1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
EP-2215077-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO 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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists GPR119, GIPR, GPR39 MCOLN3 1095/4885CHRM2 473/4885CHRM1 534/4885

“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.