SCHEMBL2116543

SCHEMBL2116543

CCC1CCN(CCCO)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.38
DRD1 P21728 7/20 0.38
DRD4 P21917 7/20 0.38
DRD5 P21918 7/20 0.38
DRD3 P35462 7/20 0.38
DRD2 P14416 6/20 0.38
GNAO1 P09471 2/20 0.36
BCHE P06276 3/20 0.36
GBA1 P04062 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAI1 P63096 1/20 0.34
KCNH2 Q12809 1/20 0.34
ACHE P22303 2/20 0.34
MAOB P27338 2/20 0.34
ALB P02768 1/20 0.34
HRH1 P35367 1/20 0.33

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
SCHEMBL30411713 0.89 ACHE (0.42) DRD4DRD3DRD2BCHEACHE
SCHEMBL2116405 0.88 GNAO1 (0.41) DRD4DRD3DRD2GNAO1GNAI3
SCHEMBL24134595 0.84 HTR1A (0.46) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL15780399 0.84 HTR1A (0.46) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL3429374 0.84 ARG1 (0.43) DRD4DRD3DRD2GNAO1GBA1
SCHEMBL3427083 0.84 ARG1 (0.43) DRD4DRD3DRD2GNAO1GBA1
Fluoride SCHEMBL30212657 0.81 GNAO1 (0.50) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL29244364 0.81 GNAO1 (0.46) DRD4DRD3DRD2GNAO1GNAI3
SCHEMBL2116542 0.81 GNAO1 (0.36) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL17277603 0.81 GNAO1 (0.40) HTR1ADRD1DRD4DRD5DRD3

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
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
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 HTR1A 14/4885DRD1 282/4885DRD4 418/4885

“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.