SCHEMBL5525141

SCHEMBL5525141

NCC1CCC(COc2ccccc2)OC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 3/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DRD1 P21728 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
GRM2 Q14416 1/20 0.40
HTR1A P08908 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
PDK1 Q15118 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL5526108 0.88 TDP1 (0.56) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5526297 0.85 TDP1 (0.41) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5525291 0.85 TDP1 (0.41) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5722130 0.85 TDP1 (0.41) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5722073 0.85 TDP1 (0.60) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL5519586 0.80 TDP1 (0.54) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL30103447 0.79 TAAR1 (0.45) TSHRMEN1KMT2ADRD1HRH3
SCHEMBL7048454 0.79 TDP1 (0.82) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL8284686 0.79 PARP15 (0.50) TDP1
SCHEMBL14451432 0.79 PARP15 (0.50) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A TDP1 4329/4885ALDH1A1 1187/4885TP53 3611/4885

“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.