SCHEMBL3124357

SCHEMBL3124357

COC(=O)c1cccc(CN(CC=O)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
SLC7A5 Q01650 1/20 0.51
CASR P41180 1/20 0.50
NR3C1 P04150 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
FOLH1 Q04609 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
HPGD P15428 1/20 0.45
CETP P11597 1/20 0.44
ERN1 O75460 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL12393362 0.85 LOXL2 (0.48) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL3127194 0.84 LOXL2 (0.51) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL16706893 0.81 LOXL2 (0.62) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL4835879 0.80 LOXL2 (0.60) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL697890 0.79 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL376141 0.79 LMNA (0.52) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL25530645 0.78 CYP4F2 (0.43) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL165622 0.78 LOXL2 (0.66) LOXL2CYP4F2CYP4A11SLC7A5NR3C1
SCHEMBL10106423 0.77 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5NR3C1
SCHEMBL31752875 0.76 CYP4A11 (0.69) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 LOXL2 3539/4885CYP4F2 2150/4885CYP4A11 1073/4885

“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.