SCHEMBL16095918

SCHEMBL16095918

O=C(CN(C(=O)OCc1ccccc1)C1CCNCC1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NMT1 P30419 1/20 0.44
GLA P06280 1/20 0.43
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
CYP2D6 P10635 3/20 0.42
CHRM3 P20309 2/20 0.42
KCNH2 Q12809 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CCR5 P51681 2/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
TSHR P16473 1/20 0.41
ENPP2 Q13822 1/20 0.41
HTR2C P28335 1/20 0.40
SIGMAR1 Q99720 1/20 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
SCHEMBL4785540 0.91 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1GLASLC6A2
SCHEMBL5727402 0.88 CCR5 (0.41) L3MBTL1NMT1GLASLC6A2SLC6A4
SCHEMBL6202628 0.87 HTR2A (0.51) HTR2ANMT1SLC6A2SLC6A4SLC6A3
SCHEMBL803880 0.86 CCR5 (0.54) HTR2AL3MBTL1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5232869 0.85 CCR5 (0.53) HTR2AL3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL30802298 0.85 SLC6A2 (0.45) HTR2ANMT1SLC6A2SLC6A4SLC6A3
SCHEMBL6039277 0.84 HTR2A (0.46) HTR2ANMT1SLC6A2SLC6A4SLC6A3
SCHEMBL7131705 0.84 SLC6A4 (0.53) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL7138468 0.84 SLC6A2 (0.44) HTR2ANMT1SLC6A2SLC6A4SLC6A3
SCHEMBL18190830 0.83 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1NMT1GLA

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HTR2A 3376/4885ALDH1A1 305/4885MAPK1 4548/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT HTR2A 3376/4885ALDH1A1 305/4885MAPK1 4548/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HTR2A 3376/4885ALDH1A1 305/4885MAPK1 4548/4885

“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.