SCHEMBL3334110

SCHEMBL3334110

NCC(O)c1ccc(O)c(ON)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.73
BLM P54132 5/20 0.71
PMP22 Q01453 3/20 0.71
TDP1 Q9NUW8 4/20 0.65
KDM4E B2RXH2 4/20 0.65
MAPT P10636 3/20 0.65
RECQL P46063 3/20 0.65
APEX1 P27695 3/20 0.65
TAAR1 Q96RJ0 3/20 0.65
ADRB3 P13945 3/20 0.65
HPGD P15428 2/20 0.65
LMNA P02545 2/20 0.65
MAPK1 P28482 2/20 0.65
CYP3A4 P08684 2/20 0.65
ADRB2 P07550 2/20 0.65
ADRB1 P08588 2/20 0.65
ADRA2A P08913 2/20 0.65
ADRA2B P18089 2/20 0.65
ADRA2C P18825 2/20 0.65
ADRA1D P25100 2/20 0.65

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
Normetanephrine SCHEMBL29516838 0.84 NFKB1 (1.00) NFKB1BLMPMP22TDP1KDM4E
Normetanephrine SCHEMBL4949341 0.84 NFKB1 (1.00) NFKB1BLMPMP22TDP1KDM4E
Normetanephrine SCHEMBL137755 0.84 NFKB1 (1.00) NFKB1BLMPMP22TDP1KDM4E
Normetanephrine SCHEMBL1168235 0.83 BLM (1.00) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL7151218 0.81 NFKB1 (0.71) NFKB1BLMPMP22TDP1KDM4E
Normetanephrine SCHEMBL15421560 0.81 NFKB1 (0.94) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL249737 0.81 NFKB1 (0.71) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL4849450 0.81 NFKB1 (0.71) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL7147014 0.81 NFKB1 (0.71) NFKB1BLMPMP22TDP1KDM4E
SCHEMBL4542685 0.80 NFKB1 (0.69) NFKB1BLMPMP22TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315493-A4 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON UNIV GEORGETOWN (US) 2007-12-05 EP claimed
US-20050131051-A1 2-3-disubstituted quinuclidiness as modulators of monoamine transporters and theraperutic and diagnostic methods based thereon WANG SHAOMENG (US) 2005-06-16 US claimed
EP-1315493-A1 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON GEORGETOWN UNIVERSITY (US) 2003-06-04 EP claimed
WO-2002015906-A1 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON GEORGETOWN UNIVERSITY (US) 2002-02-28 WO claimed
CN-119100941-A Preparation and application of contracture medicine with synergistic antidepressant effect and composition thereof 江苏海洋大学 2024-12-10 CN disclosed
CN-115385914-B Application of ligand small molecule of targeting PDCD4 in preparation of antidepressant drugs 山东大学 2024-04-30 CN disclosed
WO-2022246930-A1 APPLICATION OF LIGAND SMALL MOLECULE TARGETING PDCD4 IN PREPARATION OF ANTIDEPRESSANT DRUGS 山东大学 2022-12-01 WO disclosed
CN-115385914-A Application of ligand small molecule of targeting PDCD4 in preparation of antidepressant drugs 山东大学 2022-11-25 CN disclosed
CN-109497342-A It is a kind of for preventing and treating the feed addictive of chicken diarrhea 鼎正动物药业(天津)有限公司 2019-03-22 CN disclosed
CN-101301283-B Composition transferred through nose and brain containing milnacipran SHANGHAI INST PHARM INDUSTRY 2011-04-06 CN disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
CN-101194982-B Anti-depression traditional Chinese medicine composition and preparation method thereof XUANWU HOSPITAL OF CAPITAL UNIVERSITY OF MEDICAL SCIENCE 2010-05-19 CN disclosed
WO-2005068447-A1 PIPERAZINE DERIVATIVES WHICH EXHIBIT ACTIVITY AS SEROTONIN AND NORADRENALINE RE-UPATKE INHIBITORS PFIZER LIMITED (GB) 2005-07-28 WO disclosed
US-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2005-06-23 US disclosed
US-20050131051-A1 2-3-disubstituted quinuclidiness as modulators of monoamine transporters and theraperutic and diagnostic methods based thereon WANG SHAOMENG (US) 2005-06-16 US disclosed
WO-2004110995-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 WO disclosed
CN-1539497-A Combinaton of medication for treating depression and preparation method �Ϻ���ͨ��ѧ 2004-10-27 CN disclosed
EP-1315493-A1 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON GEORGETOWN UNIVERSITY (US) 2003-06-04 EP disclosed
CN-1401381-A Antidepressant composition and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY (CN) 2003-03-12 CN disclosed
WO-2002015906-A1 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON GEORGETOWN UNIVERSITY (US) 2002-02-28 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-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting AOC3, ADRB3, HTR3C NFKB1 3512/4885BLM 4285/4885PMP22 3485/4885
US-20050131051-A1 2-3-disubstituted quinuclidiness as modulators of monoamine transporters and theraperutic and diagnostic methods based thereon SLC6A3, SLC6A2, SLC6A4 NFKB1 3660/4885BLM 4683/4885PMP22 1508/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B NFKB1 2032/4885BLM 998/4885PMP22 928/4885

“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.