SCHEMBL23772009

SCHEMBL23772009

CC1(C)ON(c2cccc(-c3ccccn3)c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
GRM5 P41594 14/20 0.43
DHFR P00374 1/20 0.43
BACE1 P56817 1/20 0.40
CYP2A6 P11509 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL22066482 0.79 COMT (0.47) HTR1AHTR7CYP2A6
SCHEMBL19270160 0.73 HTR1A (0.48) HTR1AHTR7GRM5DHFRBACE1
SCHEMBL502867 0.73 KDM4E (0.62) HTR1AHTR7GRM5CYP2A6
SCHEMBL29679578 0.73 KDM4E (0.62) HTR1AHTR7GRM5CYP2A6
SCHEMBL19270164 0.72 HTR1A (0.50) HTR1AHTR7GRM5DHFR
SCHEMBL30533680 0.71 KDM4E (0.59) HTR1AHTR7GRM5CYP2A6
Hydrochloric Acid SCHEMBL6007318 0.71 KDM4E (0.59) HTR1AHTR7GRM5CYP2A6
SCHEMBL21506994 0.71 KDM4E (0.59) HTR1AHTR7GRM5CYP2A6
SCHEMBL21692301 0.71 HTR1A (0.55) HTR1AHTR7GRM5DHFRCYP2A6
SCHEMBL13537051 0.71 HTR1A (0.76) HTR1AHTR7GRM5DHFRUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210257564-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2021-08-19 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 (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-20210257564-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE RB1, ARL1, CDKL1 HTR1A 2066/4885HTR7 3047/4885GRM5 2656/4885

“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.