SCHEMBL23108676

SCHEMBL23108676

CSc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.47
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ KCNJ1 P48048 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PRKDC P78527 1/20 0.34
▸ SYK P43405 4/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ NAMPT P43490 4/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 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
SCHEMBL23114832 0.87 ACACB (0.50) ACACBCHRNB2CHRNA4KCNJ1KCNH2
SCHEMBL25146910 0.87 ACACB (0.50) ACACBCHRNB2CHRNA4KCNJ1KCNH2
SCHEMBL23425828 0.85 ACACB (0.43) ACACBCHRNB2CHRNA4KCNJ1KCNH2
SCHEMBL23707108 0.83 NPC1 (0.40) CHRNB2CHRNA4SYKACKR3MGLL
SCHEMBL23103163 0.82 PRKDC (0.35) ACACBCHRNB2CHRNA4PRKDCSYK
SCHEMBL23107214 0.82 PRKDC (0.35) ACACBCHRNB2CHRNA4PRKDCSYK
SCHEMBL23103154 0.82 PRKDC (0.35) ACACBCHRNB2CHRNA4PRKDCSYK
SCHEMBL23103159 0.82 PRKDC (0.35) ACACBCHRNB2CHRNA4PRKDCSYK
SCHEMBL23103153 0.82 PRKDC (0.35) ACACBCHRNB2CHRNA4PRKDCSYK
SCHEMBL23089168 0.82 PIK3CA (0.37) CHRNB2CHRNA4PRKDCSYKHRH3

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-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

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-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 ACACB 2899/4885CHRNB2 1443/4885CHRNA4 2216/4885

“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.

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