SCHEMBL3871114

SCHEMBL3871114

COC(=O)CCCNc1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HDAC1 Q13547 9/20 0.48
HDAC3 O15379 7/20 0.48
HDAC2 Q92769 5/20 0.48
NCOR2 Q9Y618 3/20 0.48
HDAC10 Q969S8 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.44
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL10875175 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL27344292 0.87 TOP2A (0.55) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL3871501 0.82 HDAC1 (0.55) ALDH1A1KDM4EHSD17B10HDAC1HDAC3
SCHEMBL6977216 0.82 SIRT2 (0.53) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL6971190 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL17934114 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL22511996 0.80 HDAC3 (0.51) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL24327215 0.78 HDAC3 (0.58) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL215272 0.77 HDAC3 (0.50) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL867417 0.77 PRSS1 (0.47) ALDH1A1KDM4EGAAMAPTHSD17B10

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-7538115-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-26 US disclosed
US-7026312-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-04-11 US disclosed
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-09-29 US disclosed
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2003-12-25 US 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 (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-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX5, CALCRL, ADRA1D ALDH1A1 761/4885KDM4E 4507/4885GAA 2132/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 ALDH1A1 786/4885KDM4E 4508/4885GAA 2148/4885

“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.