SCHEMBL16972849

SCHEMBL16972849

Nc1ccc2c(c1)OCC(=O)N2C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3R1 P27986 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK14 Q16539 3/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL27362062 0.82 PIK3CD (0.43) NOTUMPIK3CDPIK3R1MTORLMNA
SCHEMBL17050420 0.78 MAOB (0.38) NOTUMPIK3CDPIK3R1MTORMAPT
SCHEMBL31290018 0.78 NOTUM (0.50) NOTUMLMNASCN1ASCN5ASCN9A
SCHEMBL18227140 0.77 TERT (0.48) GAAMAPTSMN1; SMN2KDM4E
SCHEMBL8600452 0.77 PIK3CD (0.38) NOTUMPIK3CDPIK3R1MTORSCN1A
SCHEMBL520359 0.76 CYP11B2 (0.53) CYP11B1CYP11B2ATAD2PDE3BPDE3A
SCHEMBL31481226 0.76 CYP11B2 (0.53) CYP11B1CYP11B2ATAD2PDE3BPDE3A
SCHEMBL17708315 0.75 CHRM1 (0.41) ATAD2CYP19A1
SCHEMBL3041759 0.74 MAOA (0.47) —
SCHEMBL20868003 0.73 CHRNB4 (0.36) GAAMAPTMAPK14ATAD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 — — US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 — — US disclosed
EP-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 — — EP disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 — — US disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 — — 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 (3 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP NOTUM 1870/4885PIK3CD 856/4885PIK3R1 1066/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP NOTUM 1870/4885PIK3CD 856/4885PIK3R1 1066/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP NOTUM 1870/4885PIK3CD 856/4885PIK3R1 1066/4885

“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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