SCHEMBL3872243

SCHEMBL3872243

CN(C)CCCc1c(F)ccc(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.46
NOS3 P29474 6/20 0.38
NOS2 P35228 5/20 0.38
TAAR1 Q96RJ0 2/20 0.37
RAD52 P43351 1/20 0.34
MPO P05164 1/20 0.34
SLC6A4 P31645 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL7971745 0.82 NOS1 (0.40) NOS1NOS3NOS2RAD52SLC6A4
SCHEMBL1642010 0.80 NOS1 (0.43) NOS1NOS3NOS2TAAR1RAD52
SCHEMBL1170745 0.79 SKP2 (0.41) TLR8
Hydrochloric Acid SCHEMBL3425848 0.79 NOS1 (0.42) NOS1NOS3NOS2TAAR1RAD52
SCHEMBL10425890 0.74 RAD52 (0.40) NOS1NOS3NOS2RAD52
SCHEMBL5260316 0.73 NOS1 (0.34) NOS1NOS3NOS2RAD52SLC6A4
SCHEMBL4884783 0.73 SLC6A4 (0.40) NOS1NOS3NOS2MPOSLC6A4
SCHEMBL979815 0.71 ALDH1A1 (0.34) NOS3NOS2
SCHEMBL25784194 0.68 NOS1 (0.44) NOS1NOS3NOS2TAAR1MPO
SCHEMBL23609363 0.67 NOS1 (0.43) NOS1NOS3NOS2TAAR1MPO

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 NOS1 1034/4885NOS3 1347/4885NOS2 1657/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 NOS1 793/4885NOS3 943/4885NOS2 965/4885

“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.