SCHEMBL5878741

SCHEMBL5878741

CN(CCO)CC(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.59
KDM4E B2RXH2 7/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TAAR1 Q96RJ0 1/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.48
CNR2 P34972 1/20 0.48
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL12156632 0.85 AOC3 (0.59) AOC3KDM4EL3MBTL1TAAR1MEN1
SCHEMBL20356794 0.85 AOC3 (0.59) AOC3KDM4ETAAR1MEN1KMT2A
SCHEMBL16155381 0.85 AOC3 (0.63) AOC3KDM4EL3MBTL1TAAR1MEN1
SCHEMBL13995351 0.84 AOC3 (0.59) AOC3KDM4EL3MBTL1TAAR1MEN1
SCHEMBL11957707 0.82 AOC3 (0.62) AOC3KDM4EL3MBTL1TAAR1MEN1
SCHEMBL3273864 0.82 AOC3 (0.62) AOC3KDM4EL3MBTL1TAAR1MEN1
SCHEMBL10748280 0.82 TAAR1 (0.62) AOC3KDM4EL3MBTL1TAAR1MEN1
SCHEMBL18756873 0.81 AOC3 (0.63) AOC3KDM4EL3MBTL1TAAR1MEN1
SCHEMBL28794562 0.81 AOC3 (0.63) AOC3KDM4EL3MBTL1TAAR1MEN1
SCHEMBL9641990 0.81 KDM4E (0.54) AOC3KDM4EL3MBTL1TAAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176757-A Preparation method of mianserin hydrochloride intermediate and derivative thereof 四川青木制药有限公司 2024-12-24 CN disclosed
CN-103588715-A Synthetic method for 1-methyl-3-phenylpiperazine TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD 2014-02-19 CN disclosed
CN-102649779-A Synthesis method for medicine intermediate 1-methyl-3-phenylpiperazine SHANDONG LUYAO PHARMACEUTICAL CO LTD 2012-08-29 CN disclosed
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INTERNATIONAL B.V. (NL) 2010-09-30 US disclosed
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INTERNATIONAL B.V. (NL) 2010-09-30 US disclosed
WO-2009005645-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
EP-1136470-B1 PROCESS FOR THE PREPARATION OF A PIPERAZINE DERIVATIVE SUMITOMO CHEMICAL CO (JP) 2007-08-22 EP disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-7041826-B2 reducing 4-benzyl-1-methyl-2-oxo-3-phenylpiperazine with lithium aluminum hydride to form 4-benzyl-1-methyl-3-phenylpiperazine; catalytic hydrogenation with palladium on carbon to form 1-methyl-3-phenylpiperazine; further conversion to the antidepressant, Mirtazapine; by-product inhibition AUROBINDO PHARMA LTD. (IN) 2006-05-09 US disclosed
WO-2004106309-A1 A PROCESS FOR PREPARING 1-METHYL-3-PHENYLPIPERAZINE AUROBINDO PHARMA LTD (IN) 2004-12-09 WO disclosed
US-20040242879-A1 Process for preparing 1-methyl-3-phenylpiperazine using a novel intermediate AUROBINTO PHARMA LTD (IN) 2004-12-02 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 WO disclosed
US-4254031-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1981-03-03 US disclosed
US-4217452-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1980-08-12 US disclosed
US-4025513-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1977-05-24 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-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 AOC3 4583/4885KDM4E 1069/4885L3MBTL1 2701/4885
US-20040242879-A1 Process for preparing 1-methyl-3-phenylpiperazine using a novel intermediate CYP4Z1, HTR5A, CYP3A5 AOC3 1135/4885KDM4E 121/4885L3MBTL1 3458/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 AOC3 4583/4885KDM4E 1069/4885L3MBTL1 2701/4885
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 AOC3 3432/4885KDM4E 2453/4885L3MBTL1 4560/4885

“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.