SCHEMBL6153458

SCHEMBL6153458

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Nc2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.49
TRPA1 O75762 1/20 0.48
DRD2 P14416 2/20 0.47
AAK1 Q2M2I8 1/20 0.46
EGLN2 Q96KS0 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
KCNA3 P22001 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CTSK P43235 2/20 0.41
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
NSD2 O96028 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.39

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
SCHEMBL6155283 1.00 KDM4D (0.49) KDM4DTRPA1DRD2AAK1EGLN2
SCHEMBL6153457 1.00 KDM4D (0.49) KDM4DTRPA1DRD2AAK1EGLN2
SCHEMBL31206154 0.87 NPC1 (0.48) DRD2KDM1AMAOBJAK2JAK1
SCHEMBL29665918 0.87 AR (0.48) TRPA1DRD2
SCHEMBL24193168 0.87 HDAC8 (0.49) DRD2AAK1KDM1AMAOBKCNA3
SCHEMBL30054519 0.87 HDAC8 (0.49) DRD2AAK1KDM1AMAOBKCNA3
SCHEMBL6154416 0.86 SUV39H2 (0.47) KDM4DDRD2AAK1KDM1AMAOB
SCHEMBL6154460 0.86 SUV39H2 (0.47) KDM4DDRD2AAK1KDM1AMAOB
SCHEMBL6154412 0.86 SUV39H2 (0.47) KDM4DDRD2AAK1KDM1AMAOB
SCHEMBL6154752 0.84 GPR119 (0.44) KDM4DTRPA1DRD2AAK1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 KDM4D 2098/4885TRPA1 691/4885DRD2 3058/4885

“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.