SCHEMBL6758352

SCHEMBL6758352

O=C(COc1ccc(Cl)cc1O)N1[C@@H]2CC[C@H]1CC(Oc1ccc(F)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
EPHX2 P34913 2/20 0.42
CCR1 P32246 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
NAAA Q02083 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL6758359 1.00 TSHR (0.43) TSHREPHX2CCR1GRIN1GRIN2B
SCHEMBL6765115 0.89 TSHR (0.40) TSHREPHX2CCR1TP53LMNA
SCHEMBL6765113 0.89 TSHR (0.40) TSHREPHX2CCR1TP53LMNA
SCHEMBL6763019 0.88 PTGDR2 (0.43) TSHREPHX2CCR1HTR2CHTR2B
SCHEMBL6761272 0.88 EPHX2 (0.43) TSHREPHX2CCR1TP53LMNA
SCHEMBL6761269 0.88 EPHX2 (0.43) TSHREPHX2CCR1TP53LMNA
SCHEMBL6763023 0.88 PTGDR2 (0.43) TSHREPHX2CCR1HTR2CHTR2B
SCHEMBL6762010 0.88 CCR1 (0.52) TSHREPHX2CCR1TP53LMNA
SCHEMBL6761393 0.88 MAPT (0.46) TSHREPHX2CCR1TP53LMNA
SCHEMBL6761386 0.88 MAPT (0.46) TSHREPHX2CCR1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US claimed
US-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 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-20040063688-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 TSHR 2865/4885EPHX2 3279/4885CCR1 1/4885

“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.