SCHEMBL6156811

SCHEMBL6156811

CC(C)(C)OC(=O)NC1CCCC(Nc2ccc(C#N)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.51
DRD2 P14416 1/20 0.48
EPHX1 P07099 1/20 0.46
DPP4 P27487 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4D Q6B0I6 2/20 0.43
CTSK P43235 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
JAK3 P52333 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
KCNA3 P22001 1/20 0.41
TSHR P16473 1/20 0.40
PAX8 Q06710 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40

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
SCHEMBL6156813 1.00 BTK (0.51) BTKDRD2EPHX1DPP4KMT2A
SCHEMBL6153963 0.88 DRD2 (0.54) DRD2EPHX1L3MBTL1KDM4DCTSK
SCHEMBL6153965 0.88 DRD2 (0.54) DRD2EPHX1L3MBTL1KDM4DCTSK
SCHEMBL31206239 0.84 BTK (0.54) BTKDRD2EPHX1KMT2AL3MBTL1
SCHEMBL25741442 0.84 BTK (0.60) BTKDRD2KMT2AL3MBTL1RAB9A
SCHEMBL25741441 0.84 BTK (0.60) BTKDRD2KMT2AL3MBTL1RAB9A
SCHEMBL6154527 0.83 GPR119 (0.47) BTKDRD2KMT2AL3MBTL1KDM4D
SCHEMBL6154523 0.83 GPR119 (0.47) BTKDRD2KMT2AL3MBTL1KDM4D
SCHEMBL24541971 0.81 BTK (0.46) BTKDRD2KMT2AL3MBTL1CTSK
SCHEMBL29717735 0.81 BTK (0.46) BTKDRD2KMT2AL3MBTL1CTSK

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 BTK 971/4885DRD2 3058/4885EPHX1 1073/4885

“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.