SCHEMBL3145101

SCHEMBL3145101

COC(=O)C(C)c1ccc(F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.44
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
NR3C2 P08235 4/20 0.40
TSHR P16473 1/20 0.39
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL31117167 0.85 CES2 (0.46) MT-CO2PSEN1PSEN2APH1BNCSTN
SCHEMBL31560789 0.85 CES2 (0.46) MT-CO2PSEN1PSEN2APH1BNCSTN
SCHEMBL27612607 0.82 CA3 (0.43) CA9CA14CA3CA6CA5A
SCHEMBL30938844 0.82 NR3C2 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30938843 0.82 NR3C2 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3149952 0.82 MEN1 (0.41) MT-CO2PSEN1PSEN2APH1BNCSTN
SCHEMBL24875417 0.81 PSEN1 (0.45) MT-CO2PSEN1PSEN2APH1BNCSTN
SCHEMBL27678542 0.81 PTGS2 (0.45) TSHRCA9CA14CA3CA6
SCHEMBL30192920 0.80 PSEN1 (0.50) MT-CO2PSEN1PSEN2APH1BNCSTN
SCHEMBL24876464 0.80 PSEN1 (0.50) MT-CO2PSEN1PSEN2APH1BNCSTN

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 4 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
CN-101351448-A Novel 1-benzyl-4-piperidinamines for the treatment of COPD and asthma ASTRAZENECA AB (SE) 2009-01-21 CN 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 MT-CO2 1763/4885PSEN1 1330/4885PSEN2 2741/4885

“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.