SCHEMBL3997403

SCHEMBL3997403

S=C=NCCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
NAAA Q02083 2/20 0.43
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MIF P14174 1/20 0.39
TRPA1 O75762 4/20 0.38
SIGMAR1 Q99720 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL31528856 0.98 HRH3 (0.46) HRH3NAAAMAPTLMNACYP1A2
SCHEMBL4002648 0.94 HRH3 (0.54) HRH3NAAAMAPTLMNACYP1A2
SCHEMBL3997328 0.92 HRH3 (0.50) HRH3NAAAMAPTLMNAMIF
SCHEMBL1268595 0.87 LMNA (0.47) HRH3NAAAMAPTLMNACYP1A2
SCHEMBL1269251 0.85 LMNA (0.43) HRH3NAAAMAPTLMNACYP1A2
SCHEMBL6604869 0.82 TRPA1 (0.45) NAAALMNAMIFTRPA1SIGMAR1
SCHEMBL1456965 0.80 KEAP1 (0.48) HRH3NAAAMAPTLMNACYP1A2
SCHEMBL11724992 0.79 HRH3 (0.50) HRH3MAPTLMNACYP1A2MAPK1
SCHEMBL23465166 0.76 HRH3 (0.46) HRH3MAPTLMNACYP1A2MAPK1
Isothiocyanate SCHEMBL22394167 0.76 SMN1; SMN2 (0.44) HRH3NAAAMAPTLMNACYP1A2

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
WO-2025077836-A1 IONIZABLE LIPIDS AND LIPID NANOPARTICLES FOR RNA DELIVERY BEIGENE SWITZERLAND GMBH (CH) 2025-04-17 WO disclosed
WO-2017095975-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO disclosed
US-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY 2017-06-01 US disclosed
WO-2009071577-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
WO-2009071576-A1 5-ARYL-1,3,4-OXADIAZOLE-2-AMINES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2021331-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-02-11 EP disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 WO disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 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 (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-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE CRAT, CPT1A, CPT1B HRH3 782/4885NAAA 63/4885MAPT 998/4885
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 HRH3 231/4885NAAA 1716/4885MAPT 659/4885

“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.