SCHEMBL16249232

SCHEMBL16249232

COc1cccc2c1cc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MTNR1B P49286 7/20 0.40
MTNR1A P48039 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FNTA P49354 1/20 0.39
PGGT1B P53609 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CCR2 P41597 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6372185 0.87 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL16632328 0.84 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL5851402 0.84 NR1H2 (0.38) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL13291563 0.84 NR1H2 (0.38) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL19013554 0.83 MTNR1B (0.45) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2926879 0.83 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL19013034 0.83 CHRM2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL16249235 0.82 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL17220645 0.82 NR1H2 (0.54) NR1H2
SCHEMBL19013514 0.82 MTNR1B (0.45) NR1H2CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791120-B1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-02-24 EP disclosed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US disclosed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US disclosed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 US disclosed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 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-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof ALK, HRH3, HRH4 NR1H2 2088/4885CHRM2 135/4885CHRM4 498/4885

“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.