SCHEMBL434483

SCHEMBL434483

CC(C)CCc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
DAO P14920 1/20 0.42
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 3/20 0.40
TYR P14679 2/20 0.38
GCGR P47871 1/20 0.38
DRD2 P14416 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
SCHEMBL26628352 0.89 SLC6A2 (0.43) IDO1AGXTSLC6A2SLC6A4SLC6A3
SCHEMBL9486710 0.85 SLC6A2 (0.42) IDO1AGXTSLC6A2SLC6A4SLC6A3
SCHEMBL15227557 0.85 IDO1 (0.43) IDO1AGXTSLC6A2SLC6A4SLC6A3
SCHEMBL10586299 0.85 TYR (0.56) IDO1AGXTSLC6A2SLC6A4SLC6A3
SCHEMBL23259114 0.82 NR3C2 (0.39) SLC6A2SLC6A4SLC6A3HTR2CSMN1; SMN2
SCHEMBL14131195 0.82 TYR (0.53) TYRGCGR
SCHEMBL13499935 0.82 TAAR1 (0.37) SLC6A2SLC6A4SLC6A3KDM4ETYR
SCHEMBL14130991 0.81 TYR (0.56) TYR
SCHEMBL13499043 0.81 HTR1D (0.37) SLC6A2SLC6A4SLC6A3DAOTYR
SCHEMBL435685 0.81 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3HTR2AKCNH2

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-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 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 (5 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E IDO1 4136/4885AGXT 4035/4885SLC6A2 654/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 IDO1 2116/4885AGXT 170/4885SLC6A2 4562/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E IDO1 4136/4885AGXT 4035/4885SLC6A2 654/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 IDO1 1402/4885AGXT 77/4885SLC6A2 4426/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP IDO1 952/4885AGXT 2544/4885SLC6A2 3631/4885

“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.