SCHEMBL527848

SCHEMBL527848

c1ccc(C2COCOC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 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
SCHEMBL30200047 0.92 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL15202095 0.83 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL32667194 0.81 OPRM1 (0.38) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL28118056 0.81 OPRM1 (0.38) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL8539678 0.80 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL22263381 0.77 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL12533662 0.76 OPRM1 (0.49) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL12533655 0.76 OPRM1 (0.49) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL900225 0.76
SCHEMBL3392695 0.76 OPRM1 (0.49) ALDH1A1NPC1RAB9AMAPTKMT2A

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 194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016142952-A1 PROCESS FOR PREPARATION OF VILAZODONE AND ITS NOVEL INTERMEDIATES NOSCH LABS PRIVATE LIMITED (IN) 2016-09-15 WO claimed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
EP-1373204-B1 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
WO-2016142952-A1 PROCESS FOR PREPARATION OF VILAZODONE AND ITS NOVEL INTERMEDIATES NOSCH LABS PRIVATE LIMITED (IN) 2016-09-15 WO disclosed
EP-2598469-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS ESTEVE QUÍMICA S A (ES) 2014-07-23 EP disclosed
EP-2598469-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS Esteve Química, S.A. (ES) 2013-06-05 EP disclosed
EP-2418192-A1 Intermediates for the preparation of 1-aryl-pyrazol-3-one compounds useful as sigma receptors inhibitors Esteve Química, S.A. (ES) 2012-02-15 EP disclosed
WO-2012013755-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-PYRAZOL-3-ONE INTERMEDIATES USEFUL IN THE SYNTHESIS OF SIGMA RECEPTORS INHIBITORS Esteve Química, S.A. (ES) 2012-02-02 WO disclosed
US-8030496-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2011-10-04 US disclosed
US-7897783-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
WO-2002012224-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO disclosed
WO-2002012190-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO disclosed
WO-2002012214-A2 NON-IMIDAZOLE ARYLOXYALKYLAMINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2002-02-14 WO disclosed
US-20020006934-A1 Phenyl-substituted imidazopyridines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-12-13 US disclosed
US-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-11-22 US disclosed
WO-2001074814-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
WO-2001074815-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
WO-2001074813-A2 METHOD FOR USING 2- OR 3-ARYL SUBSTITUTED IMIDAZO[1,2-a] PYRIDINES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
WO-2001074810-A2 METHOD FOR USING 2-ARYLOXYALKYLAMINOBENZOXAZOLES AND 2-ARYLOXYALKYLAMINOBENZOTHIAZOLES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists HRH3, HRH4, HRH2 ALDH1A1 1270/4885NPC1 3490/4885RAB9A 4807/4885
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines TPH2, TPH1, IDO2 ALDH1A1 967/4885NPC1 1122/4885RAB9A 3920/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 ALDH1A1 767/4885NPC1 323/4885RAB9A 3610/4885

“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.