SCHEMBL3524232

SCHEMBL3524232

c1ccc2cc(-c3cnc(N4CCC(N5CCCCC5)CC4)nc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 2/20 0.46
HRH3 Q9Y5N1 14/20 0.46
KCNH2 Q12809 5/20 0.45
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR4 P51679 1/20 0.44
TLR4 O00206 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 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
SCHEMBL3529490 0.80 HRH3 (0.60) HRH3
SCHEMBL3650911 0.79 DKK1 (0.69) DKK1HRH3
SCHEMBL3525055 0.77 HRH3 (0.51) HRH3
SCHEMBL3525447 0.77 HRH3 (0.61) HRH3KCNH2MBTD1L3MBTL3L3MBTL1
SCHEMBL3525642 0.76 HRH3 (0.56) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL3525910 0.76 HRH3 (0.62) HRH3KCNH2
SCHEMBL9147047 0.76 HTR3A (0.56) KCNH2TLR9TLR8TLR7
SCHEMBL25766643 0.76 DKK1 (0.53) DKK1HRH3
SCHEMBL3645499 0.75 DKK1 (0.65) DKK1HRH3KCNH2
SCHEMBL4535167 0.75 DKK1 (0.65) DKK1HRH3KCNH2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US claimed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 US claimed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US claimed
CN-1902177-A Novel piperidine derivative BANYU PHARMA CO LTD (JP) 2007-01-24 CN claimed
EP-1669350-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 EP claimed
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 US disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 US disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 US disclosed
US-7547693-B2 Such as N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(piperidin-1-yl)piperidin-1-yl]benzamide; histamine h3-antagonists BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-06-16 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
CN-1902177-A Novel piperidine derivative BANYU PHARMA CO LTD (JP) 2007-01-24 CN disclosed
EP-1669350-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 EP 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-20070105901-A1 Novel piperidine derivative HRH3, OPRM1, OPRK1 DKK1 3850/4885HRH3 1/4885KCNH2 162/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 DKK1 4048/4885HRH3 1/4885KCNH2 177/4885

“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.