SCHEMBL17465675

SCHEMBL17465675

NC1CCN(CCC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PRCP P42785 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL16099719 1.00 DRD4 (0.35) DRD4DRD2CA1CA2CA9
SCHEMBL16119482 0.90 ALDH1A1 (0.36) KDM4EL3MBTL1ALDH1A1
SCHEMBL16101987 0.90 ALDH1A1 (0.36) KDM4EL3MBTL1ALDH1A1
SCHEMBL17457715 0.88 SMYD3 (0.39) DRD4DRD2LMNAKDM4EALDH1A1
SCHEMBL16119468 0.88 SMYD3 (0.39) DRD4DRD2LMNAKDM4EALDH1A1
SCHEMBL16119410 0.87 HTT (0.32) KDM4EALDH1A1SMN1; SMN2NAMPT
SCHEMBL16119412 0.87 HTT (0.32) KDM4EALDH1A1SMN1; SMN2NAMPT
SCHEMBL16100777 0.87 HTT (0.32) KDM4EALDH1A1SMN1; SMN2NAMPT
SCHEMBL16101638 0.87 HTT (0.32) KDM4EALDH1A1SMN1; SMN2NAMPT
SCHEMBL16100774 0.87 HTT (0.32) KDM4EALDH1A1SMN1; SMN2NAMPT

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 4 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-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

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-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT DRD4 4247/4885DRD2 3783/4885CA1 2554/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT DRD4 4247/4885DRD2 3783/4885CA1 2554/4885

“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.

Send feedback