SCHEMBL18258160

SCHEMBL18258160

CCO[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
GPR119 Q8TDV5 1/20 0.43
SYK P43405 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HSD11B1 P28845 1/20 0.42
GRIN2B Q13224 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.41
STS P08842 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
SCHEMBL18247458 1.00 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21335664 1.00 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL376543 1.00 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL31340194 0.91 PDE4B (0.51) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL20121078 0.90 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL376172 0.90 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28542087 0.90 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28840263 0.90 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL31340332 0.90 PDE4B (0.53) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL16096196 0.88 PDE4B (0.57) PDE4BSMN1; SMN2NPC1RAB9AHTT

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
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
CN-107849015-B Benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2021-03-19 CN disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 PDE4B 37/4885SMN1; SMN2 4198/4885NPC1 3955/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 PDE4B 37/4885SMN1; SMN2 4198/4885NPC1 3955/4885

“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.