SCHEMBL13638405

SCHEMBL13638405

CCCC1Cc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
AOC2 O75106 5/20 0.40
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
POLB P06746 1/20 0.40
ESR2 Q92731 1/20 0.40
DAO P14920 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 2/20 0.38
DRD2 P14416 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CA2 P00918 2/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL10366459 0.89 HRH3 (0.44) HRH3HTR1AHTR1DAOC2MAOA
SCHEMBL2059453 0.88 GRM2 (0.44) HRH3
SCHEMBL14862117 0.86 GRM2 (0.46) HRH3
SCHEMBL8689028 0.86 GRM2 (0.46) HRH3
SCHEMBL434338 0.85 HRH3 (0.49) HRH3AOC2MAOAMAOBDAO
SCHEMBL29445402 0.82 CA2 (0.52) HTR1AHTR1DCA2
SCHEMBL2108392 0.82 CA2 (0.52) HTR1AHTR1DCA2
SCHEMBL10367673 0.82 HRH3 (0.42) HRH3AOC2MAOAMAOBDAO
SCHEMBL8026173 0.82 HRH3 (0.42) HRH3HTR1AHTR1DAOC2MAOA
SCHEMBL17193871 0.81 HRH3 (0.47) HRH3HTR1AHTR1DAOC2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 HRH3 81/4885HTR1A 151/4885HTR1D 153/4885

“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.