SCHEMBL23707129

SCHEMBL23707129

CCC(C)N1CCC[C@@H](O)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
DPP4 P27487 2/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SHBG P04278 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL23467613 1.00 DRD2 (0.42) DRD2DRD3CA12CA1CA2
SCHEMBL23114447 1.00 DRD2 (0.42) DRD2DRD3CA12CA1CA2
SCHEMBL6628147 1.00 DRD2 (0.42) DRD2DRD3CA12CA1CA2
SCHEMBL25147322 1.00 DRD2 (0.42) DRD2DRD3CA12CA1CA2
SCHEMBL23707130 1.00 DRD2 (0.42) DRD2DRD3CA12CA1CA2
SCHEMBL6629090 0.88 DPP4 (0.44) DRD2DRD3DPP4KDM4ESHBG
SCHEMBL12073908 0.88 DPP4 (0.44) DRD2DRD3DPP4KDM4ESHBG
SCHEMBL24800361 0.88 DPP4 (0.44) DRD2DRD3DPP4KDM4ESHBG
SCHEMBL10211944 0.85 CA12 (0.39) DRD2DRD3CA12CA1CA2
SCHEMBL23384480 0.81 CA12 (0.37) CA12CA1CA2CA9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 2655/4885CA12 4884/4885

“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.