SCHEMBL5999501

SCHEMBL5999501

NCCc1ccc(Cl)cc1Oc1ccc2c(c1)OCCN2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
HTR2A P28223 12/20 0.40
SLC6A4 P31645 12/20 0.40
KCNH2 Q12809 12/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.36
SOS1 Q07889 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.33

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
SCHEMBL5998677 0.91 HTR2A (0.40) AURKAHTR2ASLC6A4KCNH2PTGDR2
SCHEMBL5999496 0.84 HTR2A (0.60) HTR2ASLC6A4KCNH2
SCHEMBL5999972 0.81 HTR2A (0.39) HTR2ASLC6A4KCNH2SOS1MAOB
SCHEMBL5998676 0.76 HTR2A (0.60) HTR2ASLC6A4KCNH2
Formic Acid SCHEMBL6000548 0.74 SLC6A4 (0.43) HTR2ASLC6A4KCNH2PTGDR2SOS1
SCHEMBL29998365 0.73 ALDH1A1 (0.49)
SCHEMBL303218 0.73 ALDH1A1 (0.49)
SCHEMBL5497556 0.72 HTR2A (0.41) HTR2ASLC6A4KCNH2SOS1
Formic Acid SCHEMBL6000205 0.71 PTGDR2 (0.37) HTR2ASLC6A4KCNH2PTGDR2
SCHEMBL5503447 0.69 HTR2A (0.41) HTR2ASLC6A4KCNH2SOS1

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-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B AURKA 3704/4885HTR2A 7/4885SLC6A4 150/4885

“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.