SCHEMBL23707108

SCHEMBL23707108

Cc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SLC6A9 P48067 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SYK P43405 4/20 0.37
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36

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
SCHEMBL20756622 0.89 CHRNB2 (0.39) NPC1MAPTRAB9ASMN1; SMN2USP1
SCHEMBL23107220 0.87 USP1 (0.42) NPC1MAPTRAB9ASMN1; SMN2USP1
SCHEMBL23103159 0.85 PRKDC (0.35) MAPTSYKCHRNB2CHRNA4HRH3
SCHEMBL23103163 0.85 PRKDC (0.35) MAPTSYKCHRNB2CHRNA4HRH3
SCHEMBL29814459 0.85 PIK3CA (0.37) SYKCHRNB2CHRNA4HRH3HRH4
SCHEMBL23103154 0.85 PRKDC (0.35) MAPTSYKCHRNB2CHRNA4HRH3
SCHEMBL23103153 0.85 PRKDC (0.35) MAPTSYKCHRNB2CHRNA4HRH3
SCHEMBL23107214 0.85 PRKDC (0.35) MAPTSYKCHRNB2CHRNA4HRH3
SCHEMBL23089168 0.85 PIK3CA (0.37) SYKCHRNB2CHRNA4HRH3HRH4
SCHEMBL23108681 0.83 HRH3 (0.40) MAPTSYKCHRNB2CHRNA4HRH3

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 NPC1 891/4885MAPT 3099/4885RAB9A 3488/4885

“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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