SCHEMBL4056759

SCHEMBL4056759

C=CCN1CCCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 4/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 3/20 0.37
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
HRH2 P25021 1/20 0.34

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
Methane SCHEMBL2676356 0.98 ALDH1A1 (0.45) ALDH1A1KDM4EDRD2DRD3POLB
Nitric Acid SCHEMBL10593117 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EDRD2DRD3POLB
SCHEMBL7598071 0.88
SCHEMBL16901706 0.88
SCHEMBL9327567 0.84 DRD2 (0.35) ALDH1A1KDM4EDRD2DRD3TSHR
SCHEMBL6992693 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBTSHRHPGD
SCHEMBL2201200 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBTSHRHPGD
SCHEMBL2297832 0.78
SCHEMBL10676263 0.78 DRD3 (0.42) KDM4EDRD2DRD3SIGMAR1
SCHEMBL8145067 0.78 DRD3 (0.42) DRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136434-B2 Polyamines, synthesis method thereof and use thereof for the selective elimination of H2S from a gaseous effluent comprising CO2 IFP Energies Nouvelles (FR) 2021-10-05 US claimed
CN-108602952-B Novel polyamines, method for their synthesis and their use for the removal of CO from a gas containing atmosphere2Selective removal of H from the gaseous effluent of2Use of S IFP 新能源公司 2021-03-12 CN claimed
US-10710021-B2 Polyamines, synthesis process thereof and use of same for the selective elimination of H2S from a gaseous effluent comprising CO2 IFP Energies Nouvelles (FR) 2020-07-14 US claimed
US-20200148824-A1 NOVEL POLYAMINES, SYNTHESIS METHOD THEREOF AND USE THEREOF FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies Nouvelles (FR) 2020-05-14 US claimed
EP-3645605-A1 NOVEL POLYAMINES, SYNTHESIS METHOD THEREOF AND USE THEREOF FOR THE SELECTIVE ELEMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING C02 IFP Energies nouvelles (FR) 2020-05-06 EP claimed
EP-3397671-B1 NOVEL POLYAMINES, SYNTHESIS PROCESS THEREOF AND USE OF SAME FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP ENERGIES NOW (FR) 2020-02-12 EP claimed
US-20180369743-A1 NOVEL POLYAMINES, SYNTHESIS PROCESS THEREOF AND USE OF SAME FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies Nouvelles (FR) 2018-12-27 US claimed
WO-2018224350-A1 NOVEL POLYAMINES, SYNTHESIS METHOD THEREOF AND USE THEREOF FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies Nouvelles (FR) 2018-12-13 WO claimed
EP-3397671-A1 NOVEL POLYAMINES, SYNTHESIS PROCESS THEREOF AND USE OF SAME FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies nouvelles (FR) 2018-11-07 EP claimed
WO-2017097716-A1 NOVEL POLYAMINES, SYNTHESIS PROCESS THEREOF AND USE OF SAME FOR THE SELECTIVE ELIMINATION OF H2S FROM A GASEOUS EFFLUENT COMPRISING CO2 IFP Energies Nouvelles (FR) 2017-06-15 WO claimed
WO-2016142126-A1 NOVEL TERTIARY POLYETHER ALKANOLAMINES, METHOD FOR SYNTHESIS THEREOF, AND USE OF SAME FOR THE SELECTIVE REMOVAL OF THE HYDROGEN SULPHIDE FROM A GAS EFFLUENT COMPRISING CARBON DIOXIDE IFP Energies Nouvelles (FR) 2016-09-15 WO claimed
WO-2016142125-A1 ABSORBENT SOLUTION BASED ON AMINES COMPRISING A TERTIARY POLYETHERALKANOLAMINE, AND PROCESS FOR SELECTIVE ELIMINATION OF HYDROGEN SULPHIDE FROM A GASEOUS EFFLUENT COMPRISING CARBON DIOXIDE IFP Energies Nouvelles (FR) 2016-09-15 WO claimed
US-20150314230-A1 ABSORBENT SOLUTION BASED ON AMINES BELONGING TO THE N-ALKYLHYDROXYPIPERIDINE FAMILY AND METHOD FOR REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH SUCH A SOLUTION IFP ENGERGIES NOUVELLES (FR) 2015-11-05 US claimed
EP-2928582-A1 ABSORBENT SOLUTION MADE FROM AMINES BELONGING TO THE N-ALKYL-HYDROXYPIPERIDINE FAMILY AND METHOD FOR ELIMINATING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH SUCH A SOLUTION IFP Energies nouvelles (FR) 2015-10-14 EP claimed
WO-2014087075-A1 ABSORBENT SOLUTION MADE FROM AMINES BELONGING TO THE N-ALKYL-HYDROXYPIPERIDINE FAMILY AND METHOD FOR ELIMINATING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH SUCH A SOLUTION IFP Energies Nouvelles (FR) 2014-06-12 WO claimed
US-4618599-A WATER SOLUBILITY RHONE-POULENC SANTE (FR) 1986-10-21 US claimed
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed
US-11136434-B2 Polyamines, synthesis method thereof and use thereof for the selective elimination of H2S from a gaseous effluent comprising CO2 IFP Energies Nouvelles (FR) 2021-10-05 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
WO-2008083356-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 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 (1 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-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 ALDH1A1 2732/4885KDM4E 1183/4885DRD2 1716/4885

“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.