SCHEMBL3529490

SCHEMBL3529490

Clc1cccc(-c2cnc(N3CCC(N4CCCCC4)CC3)nc2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.60
DYRK3 O43781 1/20 0.59
CCNT1 O60563 1/20 0.59
CDK9 P50750 1/20 0.59
DYRK1A Q13627 1/20 0.59
DYRK2 Q92630 1/20 0.59
DYRK1B Q9Y463 1/20 0.59
AOC3 Q16853 1/20 0.45
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
CNR2 P34972 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
SCHEMBL3525642 0.87 HRH3 (0.56) HRH3DYRK3CCNT1CDK9DYRK1A
SCHEMBL13606217 0.87 CNR2 (0.51) AOC3CNR2
SCHEMBL3525055 0.82 HRH3 (0.51) HRH3AOC3
SCHEMBL10900792 0.82 AOC3 (0.54) DYRK3CCNT1CDK9DYRK1ADYRK2
SCHEMBL3524232 0.80 DKK1 (0.46) HRH3
SCHEMBL3525447 0.80 HRH3 (0.61) HRH3
SCHEMBL19496965 0.79 AOC3 (0.61) HRH3AOC3
SCHEMBL5912918 0.75 DYRK3 (0.45) HRH3DYRK3CCNT1CDK9DYRK1A
SCHEMBL12244706 0.74 HRH3 (0.64) HRH3DYRK3CCNT1CDK9DYRK1A
SCHEMBL14529001 0.74 L3MBTL3 (0.65) 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 4 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 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

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 1/4885DYRK3 4209/4885CCNT1 1999/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 HRH3 1/4885DYRK3 4284/4885CCNT1 2432/4885

“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.