SCHEMBL6000440

SCHEMBL6000440

Cc1c(Cl)ccc(Oc2cc(C(C)C)ccc2CCN)c1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.39
TAAR1 Q96RJ0 3/20 0.35
ADRA1A P35348 1/20 0.35
PDK2 Q15119 1/20 0.33
IDO1 P14902 2/20 0.33
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL6000320 0.90 TAAR1 (0.34) HTR1DTAAR1ADRA1ACYP1A2KDM4E
SCHEMBL5498668 0.89 TAAR1 (0.36) TAAR1ADRA1ACYP1A2
SCHEMBL5503316 0.85 TAAR1 (0.35) TAAR1ADRA1ACYP1A2
SCHEMBL5502216 0.84 SLC6A4 (0.42) TAAR1ADRA1A
SCHEMBL5999811 0.82 PNMT (0.35) TAAR1ADRA1AKDM4ECSNK2A1
SCHEMBL6000439 0.82 SLC6A4 (0.47)
SCHEMBL5497523 0.82 HTR2A (0.43) TAAR1ADRA1ACYP1A2
SCHEMBL5502917 0.79 TAAR1 (0.45) TAAR1ADRA1ACYP1A2
SCHEMBL5502490 0.79 KDM4E (0.39) TAAR1ADRA1AKDM4E
SCHEMBL5506301 0.78 TAAR1 (0.36) TAAR1ADRA1ACYP1A2

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 HTR1D 125/4885TAAR1 283/4885ADRA1A 512/4885

“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.