SCHEMBL740743

SCHEMBL740743

OCCCCCCCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.68
TBXAS1 P24557 7/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP2A6 P11509 1/20 0.61
CHRNA7 P36544 2/20 0.55
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CHRM2 P08172 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 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
SCHEMBL10349992 1.00 HRH1 (0.68) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL17259193 1.00 HRH1 (0.68) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL5545817 1.00 HRH1 (0.68) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL742488 1.00 HRH1 (0.68) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL5543830 1.00 HRH1 (0.68) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL1288240 0.98 TDP1 (0.67) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL294520 0.92 CYP2A6 (0.66) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL29485634 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL2845851 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6
SCHEMBL29485667 0.90 HRH1 (0.81) HRH1TBXAS1TDP1L3MBTL1CYP2A6

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
WO-2024140595-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 珂阑(上海)医药科技有限公司 2024-07-04 WO disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN 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
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-0619807-A1 NEW BHT ETHER COMPOUNDS AND THEIR USE AS HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC DRUGS MERTZ + CO., GMBH & CO (DE) 1994-10-19 EP disclosed
US-5254549-A New BHT ether compounds and their use as hypolipidemic and antiatherosclerotic drugs MERZ & CO. GMBH & CO. (DE) 1993-10-19 US disclosed
WO-1993012089-A1 NEW BHT ETHER COMPOUNDS AND THEIR USE AS HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC DRUGS MERZ + CO., GMBH & CO. (DE) 1993-06-24 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-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF PDXK, RAD54L, CDKL5 HRH1 281/4885TBXAS1 1119/4885TDP1 3812/4885

“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.