SCHEMBL17465733

SCHEMBL17465733

O=C(CN1CCCNCC1)N[C@H]1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ ABCC1 P33527 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL17457735 1.00 CHRM5 (0.38) CHRM5CHRM3SIGMAR1ABCC1ALDH1A1
SCHEMBL17457720 0.96 SIGMAR1 (0.38) CHRM5CHRM3SIGMAR1ABCC1ALDH1A1
SCHEMBL16119427 0.96 SIGMAR1 (0.38) CHRM5CHRM3SIGMAR1ABCC1ALDH1A1
SCHEMBL21698365 0.92 ABCC1 (0.32) CHRM5CHRM3SIGMAR1ABCC1
SCHEMBL16119468 0.87 SMYD3 (0.39) ABCC1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL17457715 0.87 SMYD3 (0.39) ABCC1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL16100502 0.86 ALDH1A1 (0.34) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL17465753 0.86 ALDH1A1 (0.34) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL17465696 0.85 ALDH1A1 (0.35) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL16100710 0.85 ALDH1A1 (0.35) ALDH1A1KMT2AKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM5 4213/4885CHRM3 4549/4885SIGMAR1 3058/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CHRM5 4213/4885CHRM3 4549/4885SIGMAR1 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.

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