SCHEMBL3524699

SCHEMBL3524699

c1cncc(-c2ccc(N3CCC(N4CCCCC4)CC3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.59
L3MBTL1 Q9Y468 9/20 0.59
HRH3 Q9Y5N1 3/20 0.56
MBTD1 Q05BQ5 3/20 0.55
KDM2B Q8NHM5 1/20 0.47
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
TP53BP1 Q12888 2/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
BTK Q06187 1/20 0.44

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
SCHEMBL1863933 0.85 ALDH1A1 (0.52) CYP3A4CYP1A2
SCHEMBL28139531 0.84 L3MBTL3 (0.63) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL3525447 0.83 HRH3 (0.61) L3MBTL3L3MBTL1HRH3MBTD1CYP2C9
SCHEMBL1742761 0.83 HRH3 (0.58) L3MBTL3L3MBTL1HRH3MBTD1KDM2B
SCHEMBL4931795 0.82 KDM2B (0.49) L3MBTL3L3MBTL1HRH3KDM2BCYP2C9
SCHEMBL1865509 0.81 CYP2A6 (0.54) CYP3A4CYP1A2IDO1TDO2
SCHEMBL5833058 0.79 HRH3 (0.52) L3MBTL3L3MBTL1HRH3MBTD1CYP2C9
SCHEMBL4284430 0.79 KDM2B (0.46) HRH3KDM2BCYP2C9CYP3A4CYP2D6
SCHEMBL4935040 0.78 KDM2B (0.48) HRH3KDM2BCYP2C9CYP3A4CYP2D6
SCHEMBL23682775 0.77 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL3 353/4885L3MBTL1 467/4885HRH3 1/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 L3MBTL3 506/4885L3MBTL1 665/4885HRH3 1/4885

“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.