SCHEMBL3233235

SCHEMBL3233235

COc1ccc(C(=O)NC(c2ccccc2)C2(N(C)C)CCCC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
P2RX7 Q99572 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 2/20 0.38
TACR3 P29371 2/20 0.38
GAA P10253 1/20 0.38
KCNA5 P22460 1/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3230762 0.87 SLC6A9 (0.45) MEN1KMT2AALDH1A1MAPK1
SCHEMBL3239525 0.87 UTS2R (0.43) KMT2ARAB9AALDH1A1HTT
SCHEMBL3245066 0.86 P2RX7 (0.43) MEN1KMT2AP2RX7RAB9AALDH1A1
SCHEMBL3243825 0.85 TAS1R3 (0.42) MEN1KMT2AALDH1A1GAA
SCHEMBL3239983 0.85 UTS2R (0.42) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL3237287 0.84 SLC6A9 (0.45) P2RX7RAB9ACYP2D6
SCHEMBL3239596 0.82 CNR1 (0.41) MEN1KMT2ACYP2C9
SCHEMBL3237710 0.82 ALDH1A1 (0.42) MEN1KMT2AALDH1A1USP2CYP2C9
SCHEMBL4356706 0.81 LMNA (0.51) MAPK1TACR3
SCHEMBL3238270 0.81 ALDH1A1 (0.57) MEN1KMT2ARAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 MEN1 2501/4885KMT2A 1871/4885P2RX7 2285/4885

“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.