SCHEMBL3868083

SCHEMBL3868083

CN(C)CCCNc1cc(Cl)c(Cl)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.45
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.38
BRCA1 P38398 1/20 0.37
HIF1A Q16665 1/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
SLC2A1 P11166 1/20 0.36
APOBEC3A P31941 1/20 0.36
RAD52 P43351 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NCF1 P14598 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL24335873 0.81 PRSS1 (0.40) KDM4EGAAALDH1A1
SCHEMBL3871191 0.81 FERMT2 (0.56) FERMT2SMN1; SMN2GAAPOLBALDH1A1
SCHEMBL7960481 0.81 FERMT2 (0.56) FERMT2SMN1; SMN2GAAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11095813 0.79 PRSS1 (0.41) KDM4EGAAALDH1A1
SCHEMBL6815037 0.79 FERMT2 (0.47) FERMT2KDM4ESMN1; SMN2GAABRCA1
SCHEMBL11097962 0.77 CYP2D6 (0.43) SMN1; SMN2GAAPOLBKMT2A
SCHEMBL15585986 0.77 SMN1; SMN2 (0.46) FERMT2SMN1; SMN2BRCA1HIF1ABRD4
SCHEMBL16803419 0.74 SMN1; SMN2 (0.44) FERMT2KDM4ESMN1; SMN2BRCA1HIF1A
SCHEMBL18570445 0.74 DRD3 (0.45) FERMT2KDM4EGAA
SCHEMBL17678064 0.74 KDM4E (0.45) FERMT2KDM4ESMN1; SMN2BRCA1HIF1A

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 7 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
EP-1487821-B1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2007-03-21 EP 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
EP-1487821-A1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-12-22 EP 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
WO-2003076432-A1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-18 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 (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 FERMT2 2650/4885KDM4E 4507/4885SMN1; SMN2 2035/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 FERMT2 2919/4885KDM4E 4508/4885SMN1; SMN2 2489/4885

“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.