SCHEMBL726239

SCHEMBL726239

CN1CCOc2c1ccc(P(c1ccccc1)c1ccccc1)c2-c1c(P(c2ccccc2)c2ccccc2)ccc2c1OCCN2C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
DRD1 P21728 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
HDAC4 P56524 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR6 P50406 1/20 0.32
NOTUM Q6P988 2/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 3/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL30818349 1.00 GRM5 (0.39) GRM5DRD1CYP11B1CYP11B2PTGES2
SCHEMBL15905925 0.93 GRM5 (0.36) GRM5DRD1CYP11B1CYP11B2PTGES2
SCHEMBL19912184 0.89 TNKS (0.34) GRM5DRD2
SCHEMBL19009978 0.89 GRM5 (0.33) GRM5DRD1
SCHEMBL13681621 0.88 SCN9A (0.37) GRM5DRD2
SCHEMBL1224769 0.84 CYP11B1 (0.33) GRM5DRD1CYP11B1CYP11B2HTR6
SCHEMBL12446372 0.81 PTGER3 (0.36) GRM5DRD1CYP11B1CYP11B2POLB
SCHEMBL16449685 0.79 HTR1A (0.32)
SCHEMBL14271036 0.79 HTR1A (0.32) DRD2
SCHEMBL14652965 0.79 HTR1A (0.32) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267591-A2 ORGANOMETALLIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-11-01 EP claimed
WO-2022136049-A2 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2022-06-30 WO claimed
EP-2964384-B1 AQUEOUS HYDROGENATION REACTIONS USING WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION DUDECHEM GMBH (DE) 2022-05-04 EP claimed
US-9850198-B2 Process for preparing substituted 3-(1-amino-2-methylpentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-12-26 US claimed
US-9758457-B2 Water-insoluble ruthenium catalyst composition for use in aqueous hydrogenation reactions DEXLECHEM GMBH (DE) 2017-09-12 US claimed
US-20160355454-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS DEXLECHEM GMBH (DE) 2016-12-08 US claimed
US-9433937-B2 Water-insoluble ruthenium catalyst composition for use in aqueous hydrogenation reactions DEXLECHEM GMBH (DE) 2016-09-06 US claimed
US-20160008803-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS DEXLECHEM GMBH (DE) 2016-01-14 US claimed
EP-2964384-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS DexLeChem GmbH (DE) 2016-01-13 EP claimed
WO-2014135605-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS JOST SONJA (DE) 2014-09-12 WO claimed
US-8623621-B2 Method for producing optically active 2-methyl-alkanols BASF SE (DE) 2014-01-07 US claimed
US-20110045560-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-METHYL-ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2011-02-24 US claimed
US-7816107-B2 Method for producing an optically active 2-methyl-alkane-1-ol from the corresponding 2-methylalk-2-en-1-al, comprising carbonyl-selective reduction, enantioselective hydration and lipase-catalyzed, stereoselective acylation in order to enrich the desired BASF AKTIENGESELLSCHAFT (DE) 2010-10-19 US claimed
US-20080108117-A1 Method for Producing an Optically Active 2-Methyl-Alkane-1-Ol from the Corresponding 2-Methylalk-2-En-1-Al, Comprising Carbonyl-Selective Reduction, Enantioselective Hydration and Lipase-Catalyzed Stereoselective Acylation in Order to Enrich the Desired BASF AKTIENGESELLSCHAFT (DE) 2008-05-08 US claimed
EP-1797191-B1 PROESS FOR PRODUCING AN OPTICALLY ACTIVE 2-METHYL-ALKANE-1-OLS FROM THE CORRESPONDING 2-METHYLALK-2-EN-1-ALS, COMPRISING A STEP OF ENANTIOSELECTIVE ACYLATION TO ENRICH ONE ENANTIOMER BASF SE (DE) 2008-04-02 EP claimed
EP-3210965-B2 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2026-05-13 EP disclosed
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2024-04-11 US disclosed
WO-2007082927-A1 CHEMICAL TRANSFORMATION PROCESS IN THE PRESENCE OF A RUTHENIUM CATALYST BASF SE (DE) 2007-07-26 WO disclosed
WO-2007051576-A1 PROCESS FOR PREPARING SUBSTITUTED DIMETHYL(3-ARYLBUTYL)AMINE COMPOUNDS BY MEANS OF HOMOGENEOUS CATALYSIS Grünenthal GmbH (DE) 2007-05-10 WO disclosed
US-20070088022-A1 Tetrahydroquinolines, synthesis thereof, and intermediates thereto WYETH (US) 2007-04-19 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-20070088022-A1 Tetrahydroquinolines, synthesis thereof, and intermediates thereto HTR2C, HTR3B, HTR2A GRM5 464/4885DRD1 148/4885CYP11B1 220/4885
US-20160008803-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS KRAS, PWWP2B, WIZ GRM5 2511/4885DRD1 2550/4885CYP11B1 2045/4885
US-20160355454-A1 WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION FOR USE IN AQUEOUS HYDROGENATION REACTIONS KRAS, PWWP2B, WIZ GRM5 2511/4885DRD1 2550/4885CYP11B1 2045/4885
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS DDT, PPOX, PDCD2L GRM5 1973/4885DRD1 765/4885CYP11B1 1310/4885

“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.