SCHEMBL3525447

SCHEMBL3525447

c1cncc(-c2cnc(N3CCC(N4CCCCC4)CC3)nc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.61
KCNH2 Q12809 3/20 0.46
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MBTD1 Q05BQ5 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
SCHEMBL1742761 0.84 HRH3 (0.58) HRH3KCNH2CYP2C9CYP1A2CYP3A4
SCHEMBL3524699 0.83 L3MBTL3 (0.59) HRH3CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL4131497 0.83 HRH3 (0.44) HRH3CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL3529490 0.80 HRH3 (0.60) HRH3
SCHEMBL3525452 0.78 HRH3 (0.44) HRH3CYP1A2CYP3A4
SCHEMBL5833058 0.78 HRH3 (0.52) HRH3KCNH2CYP2C9CYP1A2CYP3A4
SCHEMBL28139531 0.77 L3MBTL3 (0.63) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL3524232 0.77 DKK1 (0.46) HRH3KCNH2L3MBTL3L3MBTL1MBTD1
SCHEMBL5837392 0.77 HRH3 (0.39) HRH3CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL3525055 0.77 HRH3 (0.51) HRH3

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 16 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
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 HRH3 1/4885KCNH2 162/4885CYP2C9 2899/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 HRH3 1/4885KCNH2 177/4885CYP2C9 2984/4885

“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.