SCHEMBL3870508

SCHEMBL3870508

CN(C)CCCCNc1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
APOBEC3A P31941 1/20 0.43
RAD52 P43351 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
NCF1 P14598 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BRCA1 P38398 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41

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
SCHEMBL3872395 0.98 HDAC3 (0.43) TOP2ANPC1POLBSLC2A1APOBEC3A
SCHEMBL974271 0.95 POLB (0.47) TOP2ANPC1POLBSLC2A1APOBEC3A
SCHEMBL30228008 0.95 POLB (0.47) TOP2ANPC1POLBSLC2A1APOBEC3A
SCHEMBL974274 0.87 NCF1 (0.53) TOP2APOLBSLC2A1RAD52KMT2A
SCHEMBL30457115 0.87 NCF1 (0.53) TOP2APOLBSLC2A1RAD52KMT2A
Hydrochloric Acid SCHEMBL9725413 0.86 NCF1 (0.51) TOP2APOLBSLC2A1RAD52KMT2A
Hydrochloric Acid SCHEMBL9725565 0.86 NCF1 (0.51) TOP2APOLBSLC2A1RAD52KMT2A
SCHEMBL215272 0.85 HDAC3 (0.50) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL6247309 0.83 HDAC3 (0.53) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL8720375 0.83 HDAC3 (0.53) KMT2AHDAC3HDAC1HDAC2NCOR2

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 5 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
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 TOP2A 3413/4885NPC1 831/4885POLB 2809/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 TOP2A 3964/4885NPC1 1257/4885POLB 2760/4885

“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.