SCHEMBL19488377

SCHEMBL19488377

CCN1CCO[C@H](CO)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.49
HRH3 Q9Y5N1 2/20 0.43
DRD3 P35462 4/20 0.42
CCR2 P41597 2/20 0.39
KCNH2 Q12809 2/20 0.39
DRD4 P21917 4/20 0.35
PDE5A O76074 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
PDE10A Q9Y233 1/20 0.34
DRD2 P14416 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
SCHEMBL24859542 1.00 PDK1 (0.49) PDK1HRH3DRD3CCR2KCNH2
SCHEMBL10181368 1.00 PDK1 (0.49) PDK1HRH3DRD3CCR2KCNH2
SCHEMBL23328919 0.85 DRD3 (0.49) PDK1DRD3
SCHEMBL10195019 0.85 HRH3 (0.42) PDK1HRH3DRD3CCR2KCNH2
SCHEMBL12235344 0.85 HRH3 (0.42) PDK1HRH3DRD3CCR2KCNH2
SCHEMBL9935153 0.83 HRH3 (0.46) PDK1HRH3DRD3CCR2KCNH2
SCHEMBL13887674 0.83 HRH3 (0.46) PDK1HRH3DRD3CCR2KCNH2
SCHEMBL9801701 0.83 HRH3 (0.46) PDK1HRH3DRD3CCR2KCNH2
SCHEMBL9935981 0.83 HRH3 (0.46) PDK1HRH3DRD3CCR2KCNH2
Iodide SCHEMBL10383790 0.83 HRH3 (0.41) PDK1HRH3DRD3CCR2KCNH2

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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 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 (4 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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 PDK1 1301/4885HRH3 2176/4885DRD3 3477/4885
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 PDK1 2687/4885HRH3 1328/4885DRD3 782/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 PDK1 327/4885HRH3 303/4885DRD3 2710/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 PDK1 323/4885HRH3 333/4885DRD3 2655/4885

“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.