SCHEMBL677087

SCHEMBL677087

[CH2]Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
FFAR1 O14842 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43

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
SCHEMBL29000441 0.87 TAAR1 (0.44) TAAR1IDO1AGXTALDH1A1ABCC4
SCHEMBL28 0.82
Benzene SCHEMBL28114321 0.82 CALM1 (0.53) TAAR1IDO1ALDH1A1TSHRHSD17B10
SCHEMBL27945561 0.79
SCHEMBL21680909 0.79
Ammonia Solution, Strong SCHEMBL27601362 0.79
SCHEMBL28997420 0.79
SCHEMBL27686006 0.79
SCHEMBL9517116 0.79
SCHEMBL29270152 0.79

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 336 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-11-02 US claimed
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-06-08 US claimed
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2022-07-07 US claimed
WO-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
WO-2021224865-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
WO-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 WO claimed
US-10052309-B2 Bis-cyclic guanidine compound compositions, methods of use and treatment thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-08-21 US claimed
US-20180036286-A1 BIS-CYCLIC GUANIDINE COMPOUND COMPOSITIONS, METHODS OF USE AND TREATMENT THEREOF UNIVERSITY OF SOUTH FLORIDA 2018-02-08 US claimed
US-20020007032-A1 Water plasticized high refractive index polymer for ophthalmic applications SURGIDEV CORPORATION (US) 2002-01-17 US claimed
US-20010056165-A1 Water plasticized high refractive index polymer for ophthalmic applications SURGIDEV CORPORATION (US) 2001-12-27 US claimed
US-6281319-B1 HYDRATABLE POLYMER SURGIDEV CORPORATION 2001-08-28 US claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
WO-2000061646-A1 WATER PLASTICIZED HIGH REFRACTIVE INDEX POLYMER FOR OPHTHALMIC APPLICATIONS SURGIDEV CORPORATION (US) 2000-10-19 WO claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
WO-1998034113-A1 COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0103077-B1 SUBSTITUTED DIPEPTIDES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHOD FOR MAKING SUCH PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 1988-05-18 EP claimed
EP-0103077-A2 Substituted dipeptides, methods for their production, pharmaceutical compositions containing them, method for making such pharmaceutical compositions SCHERING CORPORATION (US) 1984-03-21 EP claimed

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-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885IDO1 2392/4885AGXT 382/4885
US-10052309-B2 Bis-cyclic guanidine compound compositions, methods of use and treatment thereof GMPS, CGAS, RNMT TAAR1 3564/4885IDO1 2286/4885AGXT 948/4885
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885IDO1 2392/4885AGXT 382/4885
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885IDO1 2392/4885AGXT 382/4885
US-20180036286-A1 BIS-CYCLIC GUANIDINE COMPOUND COMPOSITIONS, METHODS OF USE AND TREATMENT THEREOF GMPS, CGAS, RNMT TAAR1 3564/4885IDO1 2286/4885AGXT 948/4885

“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.