SCHEMBL742233

SCHEMBL742233

ClCCCCCCCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.68
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP2A6 P11509 1/20 0.61
TBXAS1 P24557 7/20 0.60
CHRNA7 P36544 2/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CHRM2 P08172 1/20 0.47

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
SCHEMBL10349750 1.00 HRH1 (0.68) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL10350863 1.00 HRH1 (0.68) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL10895097 1.00 HRH1 (0.68) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL740922 1.00 HRH1 (0.68) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL826569 0.98 TDP1 (0.67) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL742284 0.92 CYP2A6 (0.66) HRH1TDP1L3MBTL1CYP2A6TBXAS1
Hydrochloric Acid SCHEMBL1872033 0.90 CYP2A6 (0.63) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL2845851 0.90 HRH1 (0.81) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL29485634 0.90 HRH1 (0.81) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL29485667 0.90 HRH1 (0.81) HRH1TDP1L3MBTL1CYP2A6TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-05-17 US claimed
EP-2430074-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF University Court Of The University Of Aberdeen (GB) 2012-03-21 EP claimed
WO-2010086652-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2010-08-05 WO claimed
US-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-05-17 US disclosed
US-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-05-17 US disclosed
US-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-05-17 US disclosed
EP-2430074-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF University Court Of The University Of Aberdeen (GB) 2012-03-21 EP disclosed
WO-2010086652-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2010-08-05 WO disclosed
WO-2010086652-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2010-08-05 WO disclosed
EP-0221376-A2 N-substituted diphenyl piperidines F. HOFFMANN-LA ROCHE AG (CH) 1987-05-13 EP disclosed
US-4632925-A INSULIN LOWERING ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1986-12-30 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 (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-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF PDXK, RAD54L, CDKL5 HRH1 281/4885TDP1 3812/4885L3MBTL1 4246/4885

“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.