SCHEMBL3321047

SCHEMBL3321047

[CH2]Cc1ccc(OC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
APLNR P35414 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
ADRA1A P35348 1/20 0.42
POLB P06746 1/20 0.41
CPS1 P31327 2/20 0.40
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESR2 Q92731 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL8132364 0.82 POLB (0.46) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL9921244 0.80 TAAR1 (0.46) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL2290549 0.80 KDM4E (0.46) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL29828865 0.80 TAAR1 (0.65) MAOBCYP1A2TAAR1ADRA1A
SCHEMBL2425644 0.80 TAAR1 (0.50) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL3677716 0.80 KDM1A (0.44) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL3210936 0.80 POLB (0.57) POLBESR1CYP19A1ESR2
SCHEMBL7670936 0.80 POLB (0.45) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL3851963 0.80 IDO1 (0.47) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL489792 0.80 ALDH1A1 (0.47) KDM1AMAOAMAOBAPLNRCYP1A1

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 94 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
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN claimed
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
CN-115803025-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-14 CN claimed
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2022-07-07 US claimed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN 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-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO claimed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US claimed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 US claimed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 WO claimed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 EP claimed
US-20040019049-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2004-01-29 US claimed
WO-2003099818-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2003-12-04 WO claimed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 US claimed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 US claimed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO 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 (7 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 KDM1A 3501/4885MAOA 1617/4885MAOB 1282/4885
US-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R KDM1A 4358/4885MAOA 1136/4885MAOB 1043/4885
US-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 KDM1A 3253/4885MAOA 729/4885MAOB 840/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R KDM1A 3787/4885MAOA 1198/4885MAOB 1234/4885
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA KDM1A 3501/4885MAOA 1617/4885MAOB 1282/4885
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA KDM1A 3501/4885MAOA 1617/4885MAOB 1282/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 KDM1A 3253/4885MAOA 729/4885MAOB 840/4885

“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.