SCHEMBL4633308

SCHEMBL4633308

O=C(NCCC1CCNCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.74
ITGA2B P08514 5/20 0.74
ACHE P22303 1/20 0.61
ROCK2 O75116 2/20 0.56
CHRM1 P11229 1/20 0.55
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL26668519 0.92 ITGB3 (0.67) ITGB3ITGA2BACHEROCK2CHRM1
SCHEMBL2555567 0.90 ITGB3 (0.62) ITGB3ITGA2BACHECHRM1ALDH1A1
SCHEMBL8393574 0.89 ACHE (0.69) ITGB3ITGA2BACHEALDH1A1GAA
SCHEMBL8393679 0.86 ACHE (0.66) ITGB3ITGA2BACHEALDH1A1GAA
SCHEMBL8391438 0.86 ACHE (0.66) ITGB3ITGA2BACHEALDH1A1GAA
SCHEMBL7974335 0.85 ITGB3 (0.60) ITGB3ITGA2BACHEROCK2CHRM1
SCHEMBL3330915 0.84 SMN1; SMN2 (0.56) ITGB3ITGA2BCHRM1SMN1; SMN2
SCHEMBL8395193 0.84 SMN1; SMN2 (0.68) ITGB3ITGA2BACHEALDH1A1GAA
SCHEMBL8396478 0.84 SMN1; SMN2 (0.68) ITGB3ITGA2BACHEALDH1A1GAA
SCHEMBL25970123 0.82 ACHE (0.61) ITGB3ITGA2BACHEALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO claimed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
US-9834550-B2 Pyridopyrimidinone compounds for modulating the catalytic activity of histone lysine demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-12-05 US disclosed
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2016-05-05 US disclosed
US-9045453-B2 Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
US-8586612-B2 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
CN-101080388-B Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI AVENTIS DEUTSCHLAND 2010-12-22 CN disclosed
EP-1828131-B1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2008-06-04 EP disclosed
US-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
CN-101080388-A Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 CN disclosed
EP-1828131-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis Deutschland GmbH (DE) 2007-09-05 EP disclosed
WO-2006063722-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-22 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-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A3, ATP2A2 ITGB3 2530/4885ITGA2B 2715/4885ACHE 1028/4885
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B ITGB3 4479/4885ITGA2B 4086/4885ACHE 2805/4885

“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.