SCHEMBL5999997

SCHEMBL5999997

NCCc1cc(F)c(Cl)cc1Oc1ccc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.46
HTR2A P28223 7/20 0.44
SLC6A4 P31645 5/20 0.44
KCNH2 Q12809 5/20 0.44
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TRPM8 Q7Z2W7 3/20 0.38
AHR P35869 2/20 0.37
LTA4H P09960 2/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
NR4A2 P43354 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
ADRA1A P35348 1/20 0.36
SCN9A Q15858 1/20 0.36
MAOA P21397 1/20 0.35
APP P05067 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
HTR1A P08908 2/20 0.34
HTR1D P28221 2/20 0.34

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
SCHEMBL5999994 0.84 HTR2A (0.67) HTR2ASLC6A4KCNH2
SCHEMBL5999729 0.83 AHR (0.49) HTR2ASLC6A4KCNH2TRPM8AHR
SCHEMBL6000529 0.75 HTR2A (0.46) SOS1HTR2ASLC6A4KCNH2TAAR1
SCHEMBL5998731 0.74 PTGS1 (0.48) SOS1HTR2ATHRATHRBTRPM8
SCHEMBL3483906 0.73 AHR (0.44) HTR2ASLC6A4THRATHRBAHR
Formic Acid SCHEMBL5999487 0.71 SOS1 (0.43) SOS1HTR2ASLC6A4KCNH2TAAR1
SCHEMBL13548692 0.71 AHR (0.51) AHRLTA4HF7F3NR4A2
SCHEMBL5998643 0.69 SOS1 (0.46) SOS1HTR2ASLC6A4KCNH2TAAR1
SCHEMBL5502812 0.69 SOS1 (0.47) SOS1HTR2ASLC6A4KCNH2TRPM8
SCHEMBL5999724 0.68 HTR2A (0.67) HTR2ASLC6A4KCNH2

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 SOS1 3837/4885HTR2A 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.