SCHEMBL23868365

SCHEMBL23868365

FC(F)(F)c1ccc(C[C@H]2CCNC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38

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
SCHEMBL25145959 0.91 GBA1 (0.47) HRH4HRH3KDM1AMAOAMAOB
SCHEMBL21409195 0.79 LOXL2 (0.49) HRH4HRH3GBA1
SCHEMBL21608333 0.79 LOXL2 (0.49) HRH4HRH3GBA1
SCHEMBL20281953 0.78 HRH4 (0.43) HRH4HRH3KDM1APIK3CA
SCHEMBL20281864 0.78 HRH4 (0.45) HRH4HRH3KDM1AGBA1
SCHEMBL8227791 0.77 HTR2C (0.49) HRH4HRH3GBA1
SCHEMBL28933802 0.77 HTR2C (0.49) HRH4HRH3GBA1
SCHEMBL12838122 0.77 KDM1A (0.42) HRH3KDM1AMAOAMAOBDAO
SCHEMBL21607908 0.77 DAO (0.43) KDM1AMAOAMAOBPIK3CADAO
SCHEMBL25145964 0.77 CYP3A4 (0.38) KDM1AMAOAMAOBDAOCYP3A4

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-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 — — 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-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HRH4 4152/4885HRH3 3480/4885KDM1A 1144/4885

“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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