SCHEMBL19209920

SCHEMBL19209920

O=C(CC(=O)OC1CNCCN1)OC1CNCCN1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 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
SCHEMBL19209921 0.91 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20424217 0.85 CHRM2 (0.35)
SCHEMBL27654431 0.82 ALDH1A1 (0.38)
SCHEMBL7587103 0.79 SLC6A1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2905562 0.79 SLC6A1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL28783768 0.79 NAAA (0.41)
SCHEMBL9438714 0.79
SCHEMBL7583693 0.78 CHRNB2 (0.32)
Hydrochloric Acid SCHEMBL8112201 0.78 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL7590833 0.78 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 US disclosed
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC 2020-12-31 US disclosed
US-10774073-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2020-09-15 US disclosed
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2020-08-27 US disclosed
EP-3665165-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2020-06-17 EP disclosed
CN-111225908-A DHFR inhibitors, compositions, and methods related thereto 维耶拉制药有限责任公司 2020-06-02 CN disclosed
US-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS Vyera Pharmaceuticals, LLC (US) 2019-03-14 US disclosed
WO-2019032458-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-14 WO disclosed
CN-109071486-A Compositions and methods for treating infections 维耶拉制药有限责任公司 2018-12-21 CN disclosed
EP-3411367-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS Vyera Pharmaceuticals, LLC (US) 2018-12-12 EP disclosed
WO-2017136556-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC (US) 2017-08-10 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 (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-20190077794-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR SLC6A1 3666/4885GABRA5 2492/4885GABRB2 2947/4885
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR SLC6A1 3666/4885GABRA5 2492/4885GABRB2 2947/4885
US-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR SLC6A1 3666/4885GABRA5 2492/4885GABRB2 2947/4885
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO DHFR, DHODH, FPGS SLC6A1 2764/4885GABRA5 1688/4885GABRB2 2212/4885
US-10774073-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR SLC6A1 3666/4885GABRA5 2492/4885GABRB2 2947/4885

“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.