SCHEMBL16595487

SCHEMBL16595487

Cc1c2cc(Br)ccc2nn1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MPO P05164 4/20 0.39
▸ CASP3 P42574 3/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HAVCR2 Q8TDQ0 1/20 0.35
▸ TYMS P04818 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL16596064 0.86 RET (0.36) HTTLMNASMN1; SMN2MPOCASP3
SCHEMBL23218686 0.78 HTT (0.37) HTTLMNASMN1; SMN2MPOCYP1A2
SCHEMBL27167495 0.78 HTT (0.37) HTTLMNASMN1; SMN2MPOCASP3
SCHEMBL13106339 0.77 CASP3 (0.48) HTTLMNASMN1; SMN2MPOCASP3
SCHEMBL15687441 0.76 HTT (0.38) HTTLMNASMN1; SMN2CASP3CYP1A2
SCHEMBL17616025 0.74 MPO (0.61) LMNASMN1; SMN2MPOCYP1A2CYP2C19
SCHEMBL23218298 0.73 L3MBTL1 (0.47) HTTSMN1; SMN2MPOCASP3RXFP1
SCHEMBL15970798 0.72 MAPK8 (0.40) HTTLMNASMN1; SMN2CASP3HAVCR2
SCHEMBL16369689 0.72 LMNA (0.42) HTTLMNASMN1; SMN2MPOCASP3
SCHEMBL20116571 0.71 MPO (0.38) LMNASMN1; SMN2MPOCYP1A2ALDH1A1

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
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 — — EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 — — EP disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 — — US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 — — US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 — — 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-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 HTT 1455/4885LMNA 1297/4885SMN1; SMN2 1269/4885

“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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