SCHEMBL23327607

SCHEMBL23327607

O=C(O)N1CCC2CC21c1cc(F)ccc1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.33
PSEN2 P49810 5/20 0.33
APH1B Q8WW43 5/20 0.33
NCSTN Q92542 5/20 0.33
APH1A Q96BI3 5/20 0.33
PSENEN Q9NZ42 5/20 0.33
CNR2 P34972 1/20 0.33
AKR1B1 P15121 3/20 0.33
HSP90B1 P14625 2/20 0.33
TRAP1 Q12931 2/20 0.33
ALOX5AP P20292 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DHFR P00374 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
TTR P02766 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
SCHEMBL28474971 0.89 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26181053 0.89 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27101250 0.89 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23327641 0.82 HSD11B1 (0.43) PSEN1MEN1KMT2AHSD11B1KDM1A
SCHEMBL23327461 0.77 S1PR5 (0.43) CNR2MEN1ALDH1A1LMNAKMT2A
SCHEMBL29695775 0.71 SMN1; SMN2 (0.43) MEN1KMT2A
SCHEMBL30704761 0.71 SMN1; SMN2 (0.43) MEN1KMT2A
SCHEMBL21612081 0.64 EGLN1 (0.43)
Trifluoroacetic Acid SCHEMBL23327533 0.63 KDM1A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21429689 0.62 KDM1A (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555042-B2 Macrocyclic compounds as TRK kinases inhibitors FOCHON BIOSCIENCES, LTD. (CN) 2023-01-17 US disclosed
US-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-05-13 US disclosed
CN-111971287-A Macrocyclic compounds as TRK kinase inhibitors 重庆复创医药研究有限公司 2020-11-20 CN 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-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS PLK2, ERBB3, DMPK PSEN1 3026/4885PSEN2 1850/4885APH1B 2520/4885
US-11555042-B2 Macrocyclic compounds as TRK kinases inhibitors PLK2, ERBB3, DMPK PSEN1 3026/4885PSEN2 1850/4885APH1B 2520/4885

“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.