SCHEMBL14948896

SCHEMBL14948896

COCCN(C)Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
BCHE P06276 1/20 0.42
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.40
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL13347694 0.82 CHRM2 (0.46) CHRM2MEN1KMT2AALDH1A1MAPT
SCHEMBL11638292 0.79 MEN1 (0.55) CHRM2KDM4EMEN1KMT2AALDH1A1
SCHEMBL15308529 0.79 MAPT (0.50) CHRM2KDM4EMEN1KMT2AALDH1A1
SCHEMBL13310561 0.78 SLC6A2 (0.44) CHRM2KDM4EMEN1KMT2AALDH1A1
SCHEMBL11455232 0.78 CARM1 (0.58) CHRM2KDM4EMAPT
SCHEMBL1111144 0.77 CHRM2 (0.42) CHRM2MEN1KMT2AALDH1A1MAPT
SCHEMBL13975072 0.76 CHRM2 (0.47) CHRM2KDM4EMEN1KMT2AALDH1A1
SCHEMBL615516 0.76 TSHR (0.65) ALDH1A1TSHRLTA4HMAOB
SCHEMBL19074373 0.75 CHRM2 (0.50) CHRM2KDM4EKMT2AALDH1A1MAPT
SCHEMBL13965855 0.75 KDM4E (0.46) CHRM2KDM4EMEN1KMT2AALDH1A1

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 CHRM2 30/4885KDM4E 2122/4885MEN1 4868/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 CHRM2 30/4885KDM4E 2122/4885MEN1 4868/4885

“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.