SCHEMBL4092097

SCHEMBL4092097

Cc1cccc(N(Cc2ccc3c(c2)OCCO3)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.57
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 2/20 0.52
JAK2 O60674 1/20 0.52
HTT P42858 1/20 0.52
PAX8 Q06710 1/20 0.52
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
NR1H4 Q96RI1 5/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL1924742 0.80 RAB9A (0.76) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL9788827 0.79 TRPM8 (0.62) RAB9ANPC1ALDH1A1NR1H4CYP2C19
SCHEMBL5687505 0.78 NPC1 (0.50) PTGDR2RAB9ANPC1ALDH1A1CTNNB1
SCHEMBL6831396 0.77 RAB9A (0.62) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL1078031 0.73 PTGDR2 (0.60) PTGDR2RAB9ANPC1ALDH1A1HTT
Trifluoroacetic Acid SCHEMBL5431068 0.73 RAB9A (0.65) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL21742226 0.72 PTGDR2 (0.56) PTGDR2RAB9ANPC1ALDH1A1JAK2
SCHEMBL12764035 0.72 TSPO (0.77) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL953827 0.71 PTGDR2 (0.62) PTGDR2RAB9ANPC1ALDH1A1HTT
SCHEMBL21575619 0.71 CTNNB1 (0.51) RAB9ANPC1ALDH1A1HTTCTNNB1

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-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US claimed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 PTGDR2 1173/4885RAB9A 697/4885NPC1 2534/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 PTGDR2 1098/4885RAB9A 704/4885NPC1 2446/4885

“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.