SCHEMBL23114439

SCHEMBL23114439

CCc1cccc([C@H]2CCCN(C)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.46
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
PRMT5 O14744 1/20 0.41
CHRM1 P11229 3/20 0.40
HRH1 P35367 3/20 0.40
CYP2D6 P10635 2/20 0.40
PARP1 P09874 1/20 0.40
LSS P48449 1/20 0.39

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
SCHEMBL23114418 1.00 KCNH2 (0.46) KCNH2DRD2DRD3PRMT5CHRM1
SCHEMBL23114604 0.85 TGFBR1 (0.33) KCNH2
SCHEMBL9974286 0.81 DRD2 (0.48) DRD2
SCHEMBL15318665 0.81 HTR1A (0.44) DRD2
SCHEMBL23114442 0.81 MAP4K4 (0.50) DRD2DRD3PARP1
SCHEMBL12090447 0.81 MAP4K4 (0.50) DRD2DRD3PARP1
SCHEMBL29814708 0.79 DRD2 (0.45) KCNH2DRD2DRD3PRMT5PARP1
SCHEMBL23089594 0.79 DRD2 (0.45) KCNH2DRD2DRD3PRMT5PARP1
SCHEMBL22545656 0.79 KCNH2 (0.53) KCNH2PRMT5
SCHEMBL23554631 0.78 DRD3 (0.45) DRD2DRD3

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-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 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-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 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 (3 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 KCNH2 4140/4885DRD2 4869/4885DRD3 4827/4885
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 KCNH2 1916/4885DRD2 3269/4885DRD3 2710/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 KCNH2 4140/4885DRD2 4869/4885DRD3 4827/4885

“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.