SCHEMBL3388401

SCHEMBL3388401

COC1CN(C(=O)OCc2ccccc2)CCC1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
CYP2C19 P33261 1/20 0.47
CTSK P43235 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.43
YAP1 P46937 1/20 0.43
GRIN2B Q13224 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
STS P08842 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL1355893 1.00 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL13315211 1.00 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3388396 1.00 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL19918950 1.00 PDE4B (0.54) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL376172 0.92 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL28542087 0.92 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL30661643 0.92 HSD11B1 (0.48) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL2852833 0.92 HSD11B1 (0.48) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL20121078 0.92 PDE4B (0.56) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL2852829 0.92 HSD11B1 (0.48) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970340-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2020-02-12 EP disclosed
US-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 US disclosed
US-20180273552-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2018-09-27 US disclosed
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 US disclosed
US-20160024121-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2016-01-28 US disclosed
EP-2970340-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
WO-2014151958-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-09-25 WO disclosed
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 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 (5 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-20180273552-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT PDE4B 1377/4885SMN1; SMN2 2444/4885NPC1 4491/4885
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 PDE4B 1755/4885SMN1; SMN2 3871/4885NPC1 2339/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT PDE4B 1377/4885SMN1; SMN2 2444/4885NPC1 4491/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 PDE4B 1755/4885SMN1; SMN2 3871/4885NPC1 2339/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT PDE4B 1377/4885SMN1; SMN2 2444/4885NPC1 4491/4885

“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.