SCHEMBL13020197

SCHEMBL13020197

CC(C)(C)Oc1ccc(Br)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AAK1 Q2M2I8 1/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
S1PR4 O95977 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 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
SCHEMBL18704570 0.83 TSHR (0.46) TSHRMEN1KMT2AAAK1KDM4E
SCHEMBL25875508 0.83 TSHR (0.39) TSHRMEN1KMT2AAAK1KDM4E
SCHEMBL16585428 0.82 TSHR (0.41) TSHRMEN1KMT2AAAK1KDM4E
SCHEMBL23272217 0.82 KMT2A (0.44) TSHRMEN1KMT2AAAK1KDM4E
SCHEMBL16585057 0.82 KDM4E (0.39) TSHRMEN1KMT2AAAK1KDM4E
SCHEMBL6601275 0.82 KMT2A (0.40) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL2414604 0.82 SLC1A5 (0.43) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL29855159 0.82 SLC1A5 (0.43) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL15158671 0.81 ACHE (0.46) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL233843 0.81 PPARA (0.47) TSHRMEN1KMT2AAAK1KDM4E

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 12 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
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US 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-2015065937-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2015-05-07 WO disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO disclosed
WO-2015042414-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USING SAME Karyopharm Therapeutics Inc. (US) 2015-03-26 WO disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 TSHR 3371/4885MEN1 2651/4885KMT2A 4177/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 TSHR 351/4885MEN1 1242/4885KMT2A 2068/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 TSHR 116/4885MEN1 2560/4885KMT2A 4054/4885
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 TSHR 3328/4885MEN1 3369/4885KMT2A 4264/4885

“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.