SCHEMBL3528415

SCHEMBL3528415

CCCCC(C=N)NC=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.47
ADH1C P00326 4/20 0.47
ADH1A P07327 4/20 0.47
ADH7 P40394 3/20 0.47
ADH4 P08319 2/20 0.47
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 9/20 0.38
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
SLC15A1 P46059 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL3529234 0.94 ADH1B (0.55) ADH1BADH1CADH1AADH7ADH4
SCHEMBL13350654 0.83 ADH1B (0.50) ADH1BADH1CADH1AADH7ADH4
SCHEMBL9418804 0.79 ADH1B (0.47) ADH1BADH1CADH1AADH7ADH4
SCHEMBL27862173 0.73 CTSK (0.33) TSHRSMN1; SMN2CTSKALDH1A1
SCHEMBL2363325 0.73 ADH1B (0.55) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8693236 0.73 ADH1B (0.54) ADH1BADH1CADH1AADH7ADH4
SCHEMBL14399676 0.73 ADH1B (0.54) ADH1BADH1CADH1AADH7ADH4
SCHEMBL3531337 0.72 ADH1B (0.44) ADH1BADH1CADH1AADH7ADH4
SCHEMBL9418815 0.72 ADH1B (0.58) ADH1BADH1CADH1AADH7ADH4
SCHEMBL269775 0.71

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 5 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
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 ADH1B 2194/4885ADH1C 155/4885ADH1A 57/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 ADH1B 2173/4885ADH1C 193/4885ADH1A 77/4885

“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.