SCHEMBL3149885

SCHEMBL3149885

C[C@@]1(COc2ccccc2CC#N)CO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ATP4A P20648 1/20 0.32
MAPK1 P28482 1/20 0.32
ATP4B P51164 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RIPK1 Q13546 1/20 0.31
NPC1 O15118 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL3149891 1.00 ALDH1A1 (0.33) ALDH1A1HPGDMEN1CYP1A2CYP3A4
SCHEMBL4760914 0.79 ALDH1A1 (0.43) ALDH1A1HPGDMAPK1L3MBTL1NPSR1
SCHEMBL3153812 0.79 ALDH1A1 (0.43) ALDH1A1HPGDMAPK1L3MBTL1NPSR1
SCHEMBL3144902 0.75 L3MBTL1 (0.52) L3MBTL1
SCHEMBL3145254 0.75 L3MBTL1 (0.52) L3MBTL1
SCHEMBL4451541 0.74 ALDH1A1 (0.50) ALDH1A1HPGDMEN1CYP1A2CYP2D6
SCHEMBL7197450 0.74 L3MBTL1 (0.55) ALDH1A1HPGDMEN1CYP1A2CYP2C9
SCHEMBL19612210 0.73 IDO1 (0.36) ALDH1A1HPGDMEN1CYP2D6MAPK1
SCHEMBL3143895 0.71 PPARD (0.42) ALDH1A1KMT2ANPC1THRBRAB9A
SCHEMBL3143898 0.71 PPARD (0.42) ALDH1A1KMT2ANPC1THRBRAB9A

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 ALDH1A1 260/4885HPGD 713/4885MEN1 4733/4885

“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.