SCHEMBL21153206

SCHEMBL21153206

C#CC(Cc1cccc(F)c1)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
SCN9A Q15858 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39
PPARG P37231 1/20 0.39
KDM1A O60341 2/20 0.39
MPO P05164 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
SCHEMBL21153200 0.86 TAAR1 (0.42) KDM4EMAOBMAOAPOLBRAB9A
SCHEMBL21153210 0.86 TAAR1 (0.42) KDM4EMAOBMAOAPOLBRAB9A
SCHEMBL7800224 0.84 SIGMAR1 (0.53) MAOBPOLBLMNASIGMAR1IDO1
SCHEMBL26858667 0.82 CYP2D6 (0.43) KDM4ELMNASIGMAR1IDO1
SCHEMBL13900689 0.81 SLC1A1 (0.44) SLC1A1MAOBMAOAIDO1AGXT
SCHEMBL21153204 0.79 CASR (0.56) KDM4EMAOBPOLBIDO1AGXT
SCHEMBL23032999 0.77 SIGMAR1 (0.69) SLC1A1POLBLMNASIGMAR1
SCHEMBL22192859 0.75 MAOB (0.33) SLC1A1KDM4EMAOBMAOASCN9A
SCHEMBL25208573 0.74 MEN1 (0.53) KDM4ERAB9A
SCHEMBL3211882 0.71 SLC1A1 (0.54) SLC1A1MAOBIDO1AGXTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827582-B2 Substituted amines as disrupters of ABETA42 oligomer formation ACELOT, INC. (US) 2023-11-28 US disclosed
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation ACELOT,INC (US) 2021-02-25 US disclosed
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION ACELOT, INC. 2020-07-16 US disclosed
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation ACELOT, INC. (US) 2020-07-07 US disclosed
US-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation ACELOT, INC. 2019-07-11 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-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation APP, PSEN2, PSEN1 SLC1A1 2068/4885KDM4E 4863/4885MAOB 927/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 SLC1A1 1919/4885KDM4E 4816/4885MAOB 615/4885
US-11827582-B2 Substituted amines as disrupters of ABETA42 oligomer formation APP, PSEN2, BACE1 SLC1A1 1396/4885KDM4E 4220/4885MAOB 62/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 SLC1A1 2068/4885KDM4E 4863/4885MAOB 927/4885
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation HTT, TARDBP, SNCA SLC1A1 2373/4885KDM4E 4369/4885MAOB 1428/4885

“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.