SCHEMBL21153210

SCHEMBL21153210

C#CC(CCc1cccc(F)c1)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
MPO P05164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
TP53 P04637 1/20 0.37

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 1.00 TAAR1 (0.42) TAAR1MPOKDM4EPOLBRAB9A
SCHEMBL21153206 0.86 SLC1A1 (0.43) MPOKDM4EPOLBRAB9ALMNA
SCHEMBL7800224 0.72 SIGMAR1 (0.53) POLBLMNAMAOBIDO1
SCHEMBL13900689 0.70 SLC1A1 (0.44) TAAR1MPOMAOAMAOBIDO1
SCHEMBL8591746 0.69 TAAR1 (0.65) TAAR1KDM4ELMNAMAOAMAOB
SCHEMBL23032999 0.69 SIGMAR1 (0.69) POLBLMNATP53
SCHEMBL26858667 0.69 CYP2D6 (0.43) KDM4ELMNAIDO1
SCHEMBL21165344 0.68 MPO (0.57) TAAR1MPOPOLBRAB9AL3MBTL1
SCHEMBL3371633 0.67 TAAR1 (0.74) TAAR1IDO1AGXT
SCHEMBL13099035 0.67 TAAR1 (0.57) TAAR1MAOAMAOBIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 TAAR1 2452/4885MPO 4561/4885KDM4E 4863/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 TAAR1 1901/4885MPO 4667/4885KDM4E 4816/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 TAAR1 2452/4885MPO 4561/4885KDM4E 4863/4885
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 TAAR1 1767/4885MPO 3723/4885KDM4E 4369/4885

“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.