SCHEMBL16595253

SCHEMBL16595253

O=CCCc1cccc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
FFAR1 O14842 1/20 0.49
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
CYP2A6 P11509 1/20 0.44
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
GPR52 Q9Y2T5 2/20 0.40
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
TGFBR1 P36897 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
CNR1 P21554 1/20 0.39
KAT6A Q92794 1/20 0.39
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 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
SCHEMBL7404655 0.86 HRH3 (0.54) HRH3FFAR1TLR4TLR2CYP2A6
SCHEMBL3517425 0.83 CA12 (0.48) FFAR1CYP2A6GPR52HIF1AKDM4E
SCHEMBL20200083 0.82 FFAR1 (0.58) HRH3FFAR1TLR4TLR2CYP2A6
SCHEMBL27607143 0.81 CA12 (0.47) FFAR1CYP2A6GPR52HIF1AKDM4E
SCHEMBL5266894 0.80 HRH3 (0.54) HRH3FFAR1CYP2A6HCRTR1HCRTR2
SCHEMBL1130311 0.80 HRH3 (0.54) HRH3FFAR1TLR4TLR2CYP2A6
SCHEMBL1138657 0.80 HRH3 (0.54) HRH3FFAR1TLR4TLR2CYP2A6
SCHEMBL1139044 0.80 HRH3 (0.57) HRH3FFAR1TLR4TLR2CYP2A6
SCHEMBL4472579 0.80 HRH3 (0.54) HRH3FFAR1TLR4TLR2CYP2A6
SCHEMBL13537177 0.79 HRH3 (0.56) HRH3FFAR1TLR4TLR2CYP2A6

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 8 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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-08-29 US disclosed
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 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-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 (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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 HRH3 2899/4885FFAR1 1502/4885TLR4 4496/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 HRH3 2899/4885FFAR1 1502/4885TLR4 4496/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 HRH3 2899/4885FFAR1 1502/4885TLR4 4496/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 HRH3 2899/4885FFAR1 1502/4885TLR4 4496/4885

“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.