SCHEMBL3141852

SCHEMBL3141852

COC(=O)C1(c2ccccc2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC4 P56524 5/20 0.40
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.36
KCNN4 O15554 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
LPAR1 Q92633 1/20 0.36

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
SCHEMBL15502375 0.84 HDAC4 (0.42) MEN1KMT2AHDAC4HSD11B1L3MBTL1
SCHEMBL20790235 0.83 CA1 (0.48) TSHRLMNACA1CA2CA12
SCHEMBL3144864 0.82 SIGMAR1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL15502472 0.79 HDAC4 (0.41) TSHRMEN1KMT2AHDAC4HSD11B1
SCHEMBL15502330 0.78 MEN1 (0.36) MEN1KMT2AHDAC4HSD11B1L3MBTL1
SCHEMBL1558446 0.78 GAA (0.42) TSHRLMNAMEN1KMT2AHDAC4
SCHEMBL12548934 0.78 HDAC4 (0.47) MEN1KMT2AHDAC4TACR1TACR3
SCHEMBL15897478 0.78 CA1 (0.41) LMNACA1CA2CA9MEN1
SCHEMBL30912585 0.78 GAA (0.42) TSHRLMNAMEN1KMT2AHDAC4
SCHEMBL28415692 0.78 HDAC4 (0.47) TSHRMEN1KMT2AHDAC4HSD11B1

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 TSHR 2734/4885LMNA 3377/4885CA1 4317/4885

“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.