SCHEMBL23707044

SCHEMBL23707044

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.39
▸ MCHR1 Q99705 1/20 0.33
▸ KAT2B Q92831 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KCNH2 Q12809 2/20 0.31
▸ OGA O60502 2/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30

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
SCHEMBL23425820 1.00 ACACB (0.39) ACACBMCHR1KAT2BKDM4EKCNH2
SCHEMBL23504097 1.00 ACACB (0.39) ACACBMCHR1KAT2BKDM4EKCNH2
SCHEMBL23106973 0.83 KMT2A (0.39) MCHR1KAT2BKDM4EKCNH2ALDH1A1
SCHEMBL24859594 0.83 KMT2A (0.39) MCHR1KAT2BKDM4EKCNH2ALDH1A1
SCHEMBL23107567 0.83 KMT2A (0.39) MCHR1KAT2BKDM4EKCNH2ALDH1A1
SCHEMBL23089399 0.82 CHRNB2 (0.37) MCHR1KAT2BKDM4EKCNH2OGA
SCHEMBL23425821 0.82 MCHR1 (0.34) MCHR1KAT2BKDM4EKCNH2OGA
SCHEMBL23102959 0.82 MCHR1 (0.34) MCHR1KAT2BKDM4EKCNH2OGA
SCHEMBL23108847 0.82 MCHR1 (0.34) MCHR1KAT2BKDM4EKCNH2OGA
SCHEMBL23102948 0.82 MCHR1 (0.34) MCHR1KAT2BKDM4EKCNH2OGA

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 ACACB 2899/4885MCHR1 1229/4885KAT2B 4763/4885

“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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