SCHEMBL5526237

SCHEMBL5526237

O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.52
FAAH O00519 1/20 0.52
CNR2 P34972 1/20 0.52
CHRM4 P08173 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SPHK2 Q9NRA0 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
NR1H4 Q96RI1 1/20 0.51

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
SCHEMBL5526242 1.00 CXCR3 (0.54) CXCR3ALDH1A1MAPTLMNAFAAH
SCHEMBL5516045 0.93 CXCR3 (0.60) CXCR3ALDH1A1MAPTLMNAFAAH
SCHEMBL5516047 0.93 CXCR3 (0.60) CXCR3ALDH1A1MAPTLMNAFAAH
SCHEMBL5522632 0.89 CXCR3 (0.55) CXCR3ALDH1A1MAPTFAAHCNR2
SCHEMBL5522636 0.89 CXCR3 (0.55) CXCR3ALDH1A1MAPTFAAHCNR2
SCHEMBL5523321 0.89 HDAC3 (0.51) CXCR3CHRM4MEN1KMT2ANR1H4
SCHEMBL5521812 0.89 HDAC3 (0.51) CXCR3CHRM4MEN1KMT2ANR1H4
SCHEMBL5521806 0.89 HDAC3 (0.51) CXCR3CHRM4MEN1KMT2ANR1H4
SCHEMBL5525160 0.84 CHRM4 (0.49) CXCR3CHRM4
SCHEMBL5525152 0.84 CHRM4 (0.49) CXCR3CHRM4

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-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A CXCR3 2070/4885ALDH1A1 1187/4885MAPT 588/4885

“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.