SCHEMBL6481645

SCHEMBL6481645

COc1cc(C(=O)N2CCNCC2)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.82
POLB P06746 1/20 0.68
ALDH1A1 P00352 3/20 0.67
CYP1A2 P05177 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
GAA P10253 1/20 0.63
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
Hydrochloric Acid SCHEMBL9621152 0.98 PKM (0.80) PKMPOLBALDH1A1CYP1A2L3MBTL1
SCHEMBL8937444 0.94 PKM (0.74) PKMPOLBALDH1A1CYP1A2L3MBTL1
SCHEMBL10334481 0.89 POLB (0.84) PKMPOLBALDH1A1CYP1A2L3MBTL1
SCHEMBL27473699 0.88 PKM (0.65) PKMPOLBALDH1A1CYP1A2L3MBTL1
Hydrochloric Acid SCHEMBL15303031 0.87 PKM (0.65) PKMPOLBALDH1A1CYP1A2L3MBTL1
SCHEMBL27535462 0.85 POLB (0.74) PKMPOLBALDH1A1CYP1A2L3MBTL1
Trocimine SCHEMBL9534 0.84 POLB (0.72) PKMPOLBALDH1A1CYP1A2L3MBTL1
SCHEMBL8937386 0.84 ALDH1A1 (0.73) PKMPOLBALDH1A1CYP1A2L3MBTL1
SCHEMBL8810360 0.83 ALDH1A1 (0.64) PKMPOLBALDH1A1L3MBTL1GAA
SCHEMBL14076355 0.83 POLB (0.97) PKMPOLBALDH1A1CYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP claimed
CN-117820287-A Magnolol derivative, and preparation method and application thereof 中国药科大学 2024-04-05 CN disclosed
CN-111057035-B Baicalein derivative and preparation method and application thereof 中国人民解放军第二军医大学 2021-10-26 CN disclosed
CN-110950828-B Baicalein or derivatives thereof, preparation method and application 中国人民解放军第二军医大学 2021-08-17 CN disclosed
CN-111057035-A Baicalein derivative and preparation method and application thereof 中国人民解放军第二军医大学 2020-04-24 CN disclosed
CN-110950828-A Baicalein or derivatives thereof, preparation method and application 中国人民解放军第二军医大学 2020-04-03 CN disclosed
US-6943168-B2 Calcium channel inhibitors comprising benzhydril spaced from piperazine NEUROMED TECHNOLOGIES INC. (CA) 2005-09-13 US disclosed
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-30 US disclosed
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed
US-20040044004-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine NEUROMED TECHNOLOGIES, INC. 2004-03-04 US disclosed
US-4937246-A ABSORBED EASILY FROM INTESTINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
US-4877875-A ANTIAGGLOMERANTS, VASODILATORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-10-31 US disclosed
US-4837319-A VASODILATORS, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
EP-0318235-A2 PAF antagonist, 1,4-disubstituted piperazine compounds and production thereof Takeda Chemical Industries, Ltd. (JP) 1989-05-31 EP disclosed
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed
EP-0242957-A1 1-Substituted Alkyl-1, 2-Dihydro-2-Pyrazinone derivatives TOYO JOZO KABUSHIKI KAISHA (JP) 1987-10-28 EP disclosed
EP-0139627-A1 Process for the preparation of 5,10-dihydro-1H-dibenzo [B,E] [1,4] diazepin-11-ones substituted in position 5 ARZNEIMITTELWERK DRESDEN GmbH (DE) 1985-05-02 EP disclosed
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 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 (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-20040044004-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D PKM 3641/4885POLB 4773/4885ALDH1A1 2967/4885
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D PKM 3641/4885POLB 4773/4885ALDH1A1 2967/4885

“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.