SCHEMBL14948936

SCHEMBL14948936

CCc1ccc(Cl)c(N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
LMNA P02545 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
HTR1A P08908 3/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
DRD3 P35462 3/20 0.44
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL4492340 0.90 MAPT (0.60) GAASMN1; SMN2MAPTALDH1A1SIGMAR1
SCHEMBL14948885 0.85 HTR1A (0.44) GAASMN1; SMN2ALDH1A1SIGMAR1MAPK1
SCHEMBL13548306 0.84 GAA (0.47) GAASMN1; SMN2MAPTALDH1A1SIGMAR1
SCHEMBL13547955 0.83 GAA (0.49) GAASMN1; SMN2MAPTALDH1A1SIGMAR1
SCHEMBL22350803 0.83 DRD3 (0.40) ALDH1A1SIGMAR1MCOLN3HTR1ADRD2
SCHEMBL11339430 0.82 USP2 (0.45) GAASMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL3850940 0.81 THRB (0.47) SMN1; SMN2MAPTALDH1A1MAPK1LMNA
SCHEMBL19212319 0.78 MAPT (0.53) GAASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL11529021 0.77 ALDH1A1 (0.55) GAASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7812585 0.77 NPC1 (0.57) SMN1; SMN2ALDH1A1MAPK1LMNAHTT

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-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 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-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 GAA 1597/4885SMN1; SMN2 301/4885MAPT 2371/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 GAA 1597/4885SMN1; SMN2 301/4885MAPT 2371/4885

“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.