SCHEMBL8285609

SCHEMBL8285609

O=C(NCC1CCC(COc2cccc(F)c2)CC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
PTGIR P43119 1/20 0.46
FFAR1 O14842 1/20 0.45
PPARD Q03181 1/20 0.45
KAT6A Q92794 1/20 0.45
TNK2 Q07912 2/20 0.44
GRIN2B Q13224 1/20 0.43
GPR34 Q9UPC5 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42

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
SCHEMBL14469742 1.00 CTSS (0.47) CTSSCTSKPTGIRFFAR1PPARD
SCHEMBL8284726 0.87 PTGIR (0.49) CTSSCTSKPTGIRTNK2MRGPRX4
SCHEMBL14451472 0.87 PTGIR (0.49) CTSSCTSKPTGIRTNK2MRGPRX4
SCHEMBL5516232 0.84 PTGIR (0.50) PTGIRKAT6A
SCHEMBL5516229 0.84 PTGIR (0.50) PTGIRKAT6A
SCHEMBL8284719 0.81 CCKBR (0.48) CTSSCTSKPTGIRTNK2MRGPRX4
SCHEMBL8393648 0.81 LMNA (0.58) F13A1TGM2TGM1
SCHEMBL7770012 0.79 ALDH1A1 (0.50) TNK2F13A1TGM2TGM1
SCHEMBL14451405 0.79 LMNA (0.54) PTGIRF13A1TGM2TGM1
SCHEMBL7766510 0.78 TGM2 (0.55) GRIN2BF13A1TGM2TGM1

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-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US 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 CTSS 3404/4885CTSK 3117/4885PTGIR 575/4885

“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.