SCHEMBL23707252

SCHEMBL23707252

CN1CCC(c2ccc(N)nc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
DRD4 P21917 1/20 0.46
TRPC6 Q9Y210 2/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR1F P30939 1/20 0.40
TNKS O95271 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 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
SCHEMBL4893089 0.91 SLC6A2 (0.48) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL1392852 0.90 QDPR (0.47) DRD2DRD3DRD4TRPC6NOS3
SCHEMBL25716511 0.86 DRD2 (0.47) DRD2DRD3DRD4TRPC6NOS3
SCHEMBL24376309 0.84 QDPR (0.43) DRD2DRD3DRD4TRPC6NOS3
SCHEMBL14320804 0.81 SLC18A3 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HTR1D
SCHEMBL2022957 0.80 DRD2 (0.40) DRD2DRD3DRD4TRPC6NOS3
SCHEMBL23114399 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2HTR1D
SCHEMBL24322379 0.77 DRD3 (0.55) DRD2DRD3DRD4NOS3NOS2
SCHEMBL31116847 0.77 DRD3 (0.55) DRD2DRD3DRD4NOS3NOS2
SCHEMBL1355472 0.77 TNKS (0.47) DRD2DRD3DRD4TRPC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-30 US disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 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 (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-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 DRD2 4869/4885DRD3 4827/4885DRD4 4878/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 DRD2 3293/4885DRD3 2655/4885DRD4 3788/4885

“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.