SCHEMBL16596064

SCHEMBL16596064

Cc1c2ccc(Br)cc2nn1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.36
▸ MPO P05164 5/20 0.36
▸ F2 P00734 3/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HAVCR2 Q8TDQ0 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL16595487 0.86 HTT (0.41) MPOLMNAHTTSMN1; SMN2HAVCR2
SCHEMBL20116571 0.82 MPO (0.38) RETMPOLMNASMN1; SMN2HRH4
SCHEMBL22358065 0.79 LMNA (0.36) RETMPOLMNAHTTSMN1; SMN2
SCHEMBL2144329 0.77 PDGFRA (0.44) MPOF2LMNAHTTSMN1; SMN2
SCHEMBL17616025 0.74 MPO (0.61) MPOLMNASMN1; SMN2TSHRMAPK1
SCHEMBL16596067 0.72 GRM4 (0.43) RETMPOLMNAHTTSMN1; SMN2
SCHEMBL23320542 0.70 CA9 (0.49) MPOLMNASMN1; SMN2CDK5MAPK1
SCHEMBL15970798 0.69 MAPK8 (0.40) LMNAHTTSMN1; SMN2NLRP3HAVCR2
SCHEMBL23218686 0.68 HTT (0.37) MPOLMNAHTTSMN1; SMN2NLRP3
SCHEMBL17962745 0.68 ALDH1A1 (0.35) MPOLMNAHTTSMN1; SMN2PDE10A

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 RET 4624/4885MPO 329/4885F2 4302/4885

“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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