SCHEMBL3144902

SCHEMBL3144902

C[C@@]1(COc2ccccc2CC(=O)O)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
CXCL8 P10145 2/20 0.46
CFD P00746 5/20 0.42
F11 P03951 5/20 0.42
KLKB1 P03952 4/20 0.42
PLG P00747 3/20 0.42
PLAU P00749 3/20 0.42
F7 P08709 3/20 0.42
TPSB2 P20231 2/20 0.42
F2 P00734 2/20 0.42
F9 P00740 2/20 0.42
F10 P00742 2/20 0.42
PLAT P00750 2/20 0.42
AKR1B1 P15121 1/20 0.41
CHRM1 P11229 1/20 0.41
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
PPARG P37231 3/20 0.39
LTB4R Q15722 1/20 0.38

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
SCHEMBL3145254 1.00 L3MBTL1 (0.52) L3MBTL1CXCL8CFDF11KLKB1
SCHEMBL3145731 0.84 CXCL8 (0.39) L3MBTL1CXCL8AKR1B1LTB4R
SCHEMBL3145738 0.84 CXCL8 (0.39) L3MBTL1CXCL8AKR1B1LTB4R
SCHEMBL3144823 0.83 L3MBTL1 (0.50) L3MBTL1CXCL8CFDF11KLKB1
SCHEMBL3140525 0.81 CHRM1 (0.43) CXCL8CHRM1
SCHEMBL3140532 0.81 CHRM1 (0.43) CXCL8CHRM1
SCHEMBL3150059 0.81 MAPT (0.47) CXCL8CHRM1
SCHEMBL3150056 0.81 MAPT (0.47) CXCL8CHRM1
SCHEMBL3143895 0.79 PPARD (0.42) PPARD
SCHEMBL3143898 0.79 PPARD (0.42) PPARD

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
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 L3MBTL1 4254/4885CXCL8 942/4885CFD 1571/4885

“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.