SCHEMBL5999972

SCHEMBL5999972

NCCc1ccc(Cl)cc1Oc1ccc2c(c1)CCN2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.39
SLC6A4 P31645 12/20 0.39
KCNH2 Q12809 12/20 0.39
SOS1 Q07889 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL5999970 0.82 HTR2A (0.62) HTR2ASLC6A4KCNH2
SCHEMBL5999501 0.81 AURKA (0.41) HTR2ASLC6A4KCNH2SOS1MAOB
SCHEMBL5998677 0.78 HTR2A (0.40) HTR2ASLC6A4KCNH2SOS1MAOB
SCHEMBL5497556 0.77 HTR2A (0.41) HTR2ASLC6A4KCNH2SOS1
SCHEMBL5503447 0.77 HTR2A (0.41) HTR2ASLC6A4KCNH2SOS1
SCHEMBL5502199 0.76 SLC6A4 (0.46) HTR2ASLC6A4KCNH2SOS1
SCHEMBL5999735 0.75 HTR2A (0.41) HTR2ASLC6A4KCNH2SOS1
SCHEMBL5501871 0.74 SLC6A4 (0.39) HTR2ASLC6A4KCNH2SOS1
SCHEMBL5497639 0.73 HTR2A (0.39) HTR2ASLC6A4KCNH2
SCHEMBL5999527 0.73 HTR2A (0.39) HTR2ASLC6A4KCNH2SOS1HRH3

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 HTR2A 7/4885SLC6A4 150/4885KCNH2 2331/4885

“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.