SCHEMBL7733533

SCHEMBL7733533

NCCNC(=O)[C@@H]1C[C@@H](Oc2cccc(-c3ccccc3)c2)CN1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
MC4R P32245 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
KIF11 P52732 1/20 0.38
MCL1 Q07820 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIA2 P42262 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL8142477 0.80 HRH3 (0.45) EPHX2HRH3GRIK1GRIA2FAAH
SCHEMBL9051214 0.77 HRH3 (0.43) HRH3
N-Methyl Pyrrolidine (Nmp) SCHEMBL8160349 0.76 GRIK1 (0.40) EPHX2HRH3GRIK1GRIA2
SCHEMBL7725998 0.72 SLC6A2 (0.38) EPHX2FAAH
Trifluoroacetic Acid SCHEMBL9595917 0.72 CTSC (0.40) HRH3
Hydrochloric Acid SCHEMBL7729604 0.71 SLC6A2 (0.37) EPHX2GRIK1GRIA2FAAH
SCHEMBL11249221 0.70 GRIK1 (0.49) EPHX2HRH3GRIK1GRIA2
SCHEMBL3180040 0.70 GRIK1 (0.49) EPHX2HRH3GRIK1GRIA2
SCHEMBL3180028 0.69 HRH3 (0.54) HRH3GRIK1GRIA2
SCHEMBL13584955 0.69 HRH3 (0.54) HRH3GRIK1GRIA2

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
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide RHODE ISLAND HOSPITAL (US) 2022-08-23 US disclosed
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-05-13 US disclosed
EP-3773602-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-02-17 EP disclosed
US-20200268693-A1 METHODS FOR TREATING DISEASES OR INFECTIONS CAUSED BY OR ASSOCIATED WITH H. PYLORI USING A HALOGENATED SALICYLANILIDE RHODE ISLAND HOSPITAL 2020-08-27 US disclosed
US-20190328687-A1 Antibacterial Compounds VICTORIA LINK LIMITED (NZ) 2019-10-31 US disclosed
WO-2019192968-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2019-10-10 WO disclosed
EP-3220919-A1 ANTIBACTERIAL COMPOUNDS Victoria Link Limited (NZ) 2017-09-27 EP disclosed
WO-2016080846-A1 ANTIBACTERIAL COMPOUNDS COPP JANINE NAOMI (NZ) 2016-05-26 WO disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 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 (4 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-20200268693-A1 METHODS FOR TREATING DISEASES OR INFECTIONS CAUSED BY OR ASSOCIATED WITH H. PYLORI USING A HALOGENATED SALICYLANILIDE MALT1, SI, BCL6 EPHX2 4178/4885MC4R 2870/4885HRH3 173/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 EPHX2 4178/4885MC4R 2870/4885HRH3 173/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI EPHX2 3504/4885MC4R 3319/4885HRH3 3253/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX EPHX2 3364/4885MC4R 4404/4885HRH3 3157/4885

“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.