SCHEMBL16933419

SCHEMBL16933419

c1ccc(N2CCN(C3CN4CCC3CC4)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 4/20 0.55
▸ GRIN2B Q13224 1/20 0.49
▸ DRD3 P35462 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MBTD1 Q05BQ5 1/20 0.45
▸ L3MBTL3 Q96JM7 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3351443 0.76 SIGMAR1 (0.55) SLC18A3DRD3DRD2
SCHEMBL6800130 0.76 SIGMAR1 (0.55) SLC18A3DRD3DRD2
SCHEMBL10316005 0.73 MBTD1 (0.61) SLC18A3GRIN2BALDH1A1CHRNA7MBTD1
SCHEMBL7493605 0.73 CHRNA7 (0.43) DRD3CHRM2HTR1AADRA2ACHRM1
SCHEMBL14161697 0.72 GRIN2B (0.76) SLC18A3GRIN2BDRD3ALDH1A1GAA
SCHEMBL11315406 0.72 KDM4E (0.57) SLC18A3GRIN2BALDH1A1GAAMBTD1
SCHEMBL13698447 0.72 KDM4E (0.57) SLC18A3GRIN2BALDH1A1GAAMBTD1
SCHEMBL17166950 0.72 KDM4E (0.57) SLC18A3GRIN2BALDH1A1GAAMBTD1
SCHEMBL385012 0.71 — —
SCHEMBL576814 0.71 LMNA (0.67) HTR1AKCNH2ALDH1A1CHRNA7GAA

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-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2022-03-10 — — US disclosed
US-11008316-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2021-05-18 — — US disclosed
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2018-03-08 — — US disclosed
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 — — 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 (4 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-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA SLC18A3 1931/4885GRIN2B 3084/4885DRD3 4821/4885
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA SLC18A3 1931/4885GRIN2B 3084/4885DRD3 4821/4885
US-11008316-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GAA SLC18A3 2624/4885GRIN2B 2679/4885DRD3 4850/4885
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA SLC18A3 1931/4885GRIN2B 3084/4885DRD3 4821/4885

“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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