SCHEMBL19862049

SCHEMBL19862049

Cc1c(Br)ccc2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
TYMS P04818 2/20 0.34
KIF11 P52732 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
BACE1 P56817 1/20 0.33
CYP19A1 P11511 1/20 0.32
MPO P05164 1/20 0.32
AHR P35869 2/20 0.31
ACHE P22303 2/20 0.31
EPRS1 P07814 1/20 0.31
ITK Q08881 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
DHODH Q02127 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30

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
SCHEMBL6042829 0.79 CYP2A6 (0.43) CYP2A6ESR1ESR2BACE1AHR
SCHEMBL7526046 0.79 SLC6A2 (0.44) SLC6A2SLC6A4KCNH2CYP1A2CYP2A6
SCHEMBL3771051 0.76 ESR1 (0.33) TYMSESR1ESR2EPRS1
SCHEMBL5511551 0.76 CYP1A2 (0.40) SLC6A2SLC6A4KCNH2CYP1A2CYP2A6
SCHEMBL30574198 0.76 ESR1 (0.58) SLC6A2SLC6A4KCNH2CYP1A2CYP2A6
SCHEMBL16695226 0.76 CYP1A2 (0.40) SLC6A2SLC6A4KCNH2CYP1A2CYP2A6
SCHEMBL5752191 0.73 CYP2A6 (0.48) CYP1A2CYP2A6
SCHEMBL12405217 0.73 CYP1A2 (0.55) SLC6A2SLC6A4KCNH2CYP1A2CYP2A6
SCHEMBL12260024 0.73 CYP1A2 (0.55) SLC6A2SLC6A4KCNH2CYP1A2CYP2A6
SCHEMBL12277510 0.73 CYP1A2 (0.55) SLC6A2SLC6A4KCNH2CYP1A2CYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268355-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-06-12 EP disclosed
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 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 (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-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 SLC6A2 3247/4885SLC6A4 4217/4885KCNH2 3984/4885

“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.