SCHEMBL21607008

SCHEMBL21607008

FC(F)(F)c1ccc(OC2CCNCC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 3/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TIPARP Q7Z3E1 2/20 0.39
▸ TDO2 P48775 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ HTR2C P28335 2/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ CDK4 P11802 1/20 0.35

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
SCHEMBL31532572 0.84 SLC6A4 (0.38) HTR1ASLC6A2SLC6A3SLC6A4HTR2C
SCHEMBL30396039 0.81 HCRTR2 (0.33) SLC6A2SLC6A3SLC6A4
SCHEMBL25145643 0.81 HCRTR2 (0.33) SLC6A2SLC6A3SLC6A4
SCHEMBL20412703 0.78 HRH1 (0.47) HRH1PIM1KCNH2SMN1; SMN2TDO2
SCHEMBL25290150 0.78 HCRTR2 (0.34) KCNH2SMN1; SMN2SLC6A2SLC6A3SLC6A4
SCHEMBL27157766 0.77 SYK (0.47) HRH1PIM1KCNH2TIPARPSYK
Hydrochloric Acid SCHEMBL28677440 0.77 HRH1 (0.46) HRH1KCNH2SMN1; SMN2TDO2HTR1A
SCHEMBL20249279 0.76 CHRNB2 (0.41) PIM1HTR1ASLC6A2HTR2CROCK1
Hydrochloric Acid SCHEMBL27157968 0.76 SYK (0.46) HRH1PIM1KCNH2TIPARPSYK
SCHEMBL13769086 0.76 HRH1 (0.44) HRH1PIM1KCNH2SMN1; SMN2TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 — — US disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HRH1 3096/4885PIM1 3694/4885KCNH2 4103/4885

“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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