SCHEMBL2116173

SCHEMBL2116173

CCOC1CCN(CCCO)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.39
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 3/20 0.33
DRD1 P21728 3/20 0.33
DRD4 P21917 3/20 0.33
DRD5 P21918 3/20 0.33
DRD3 P35462 3/20 0.33
DRD2 P14416 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GBA1 P04062 1/20 0.33
CHRM3 P20309 2/20 0.32
CHRM2 P08172 1/20 0.32
BCHE P06276 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32

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
SCHEMBL2116431 0.90 BCHE (0.39) HRH1BCHE
SCHEMBL2114252 0.89 HRH1 (0.40) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL27364662 0.83 GNAO1 (0.50) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL2116172 0.83 CYP2D6 (0.35) HRH1CYP2D6CYP2C19HTR1ADRD1
SCHEMBL18159722 0.82 GRIN1 (0.33) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL19616664 0.82 GRIN1 (0.33) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL2114234 0.82 GRIN1 (0.33) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL5267864 0.81 ESR1 (0.33) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL15806853 0.79 ALDH1A1 (0.37) CYP2D6DRD1DRD4DRD5DRD3
SCHEMBL12464288 0.78 SLC18A3 (0.41) HRH1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 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 (1 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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 HRH1 3/4885CYP2D6 187/4885CYP2C19 200/4885

“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.