SCHEMBL725039

SCHEMBL725039

O=C(Nc1ccncc1)c1ccc(N2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
L3MBTL1 Q9Y468 4/20 0.56
L3MBTL3 Q96JM7 2/20 0.56
MBTD1 Q05BQ5 1/20 0.56
TP53BP1 Q12888 1/20 0.56
L3MBTL4 Q8NA19 1/20 0.56
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
NPC1 O15118 6/20 0.55
TP53 P04637 4/20 0.55
HTT P42858 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ALDH1A1 P00352 3/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 4/20 0.53

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
Trifluoroacetic Acid SCHEMBL724094 0.93 SLC2A1 (0.58) MAPTL3MBTL1L3MBTL3MBTD1TP53BP1
SCHEMBL18502050 0.81 MAPT (0.61) MAPTL3MBTL1L3MBTL3MBTD1TP53BP1
SCHEMBL14528874 0.78 L3MBTL3 (0.66) MAPTL3MBTL1L3MBTL3MBTD1TP53BP1
SCHEMBL846069 0.78 TRPV1 (0.61) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL10062895 0.78 ITK (0.82) ITKAURKAKITSRCTTK
SCHEMBL1665918 0.77 MAPT (0.65) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL15850253 0.77 L3MBTL3 (0.44) MAPTL3MBTL1L3MBTL3MBTD1TP53BP1
SCHEMBL4237552 0.76 L3MBTL3 (0.71) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL21776913 0.76 L3MBTL3 (0.75) MAPTL3MBTL1L3MBTL3MBTD1TP53BP1
Hydrochloric Acid SCHEMBL722840 0.75 L3MBTL3 (0.69) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669350-B1 PIPERIDINE DERIVATIVES MSD KK (JP) 2012-02-29 EP 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-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-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 MAPT 831/4885L3MBTL1 467/4885L3MBTL3 353/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 MAPT 701/4885L3MBTL1 665/4885L3MBTL3 506/4885

“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.