SCHEMBL29703828

SCHEMBL29703828

O=C(O)c1c(-c2ccccc2F)nn2ccc(N3CCOCC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 2/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ PIK3CD O00329 4/20 0.40
▸ PIK3CB P42338 4/20 0.40
▸ AKT1 P31749 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ ATRIP Q8WXE1 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL23014103 1.00 SMPD3 (0.41) SMPD3GRIA1PIK3CDPIK3CBAKT1
SCHEMBL23013953 0.90 MAOB (0.40) SMPD3NPC1
SCHEMBL29703795 0.90 MAOB (0.40) SMPD3NPC1
SCHEMBL29939586 0.86 DGAT1 (0.55) DGAT1SOAT1
SCHEMBL25150512 0.86 DGAT1 (0.55) DGAT1SOAT1
SCHEMBL25150576 0.80 SMPD3 (0.42) SMPD3GRIA1PIK3CDPIK3CBDGAT1
SCHEMBL25150575 0.80 SMPD3 (0.42) SMPD3GRIA1PIK3CDPIK3CBDGAT1
SCHEMBL29692191 0.78 CBLB (0.56) —
SCHEMBL23013981 0.78 CBLB (0.56) —
SCHEMBL23013548 0.78 DHODH (0.41) KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227507-B2 Pharmaceutical compounds PFIZER INC. (US) 2025-02-18 — — US disclosed
CN-114555604-B Pharmaceutical compounds 辉瑞公司 2024-11-15 — — CN disclosed
US-20220306639-A1 PHARMACEUTICAL COMPOUNDS PFIZER INC. 2022-09-29 — — US disclosed
CN-114555604-A Pharmaceutical compounds 瑞威有限公司 2022-05-27 — — 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-12227507-B2 Pharmaceutical compounds CHRNA6, GABRA6, CHRNA7 SMPD3 4726/4885GRIA1 194/4885PIK3CD 4749/4885
US-20220306639-A1 PHARMACEUTICAL COMPOUNDS CHRNA6, GABRA6, CHRNA7 SMPD3 4726/4885GRIA1 194/4885PIK3CD 4749/4885

“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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