SCHEMBL21729166

SCHEMBL21729166

N/C(CCc1c(F)cccc1Cl)=N\O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.59
BACE1 P56817 1/20 0.49
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 1/20 0.41
DAO P14920 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MAPK8 P45983 1/20 0.39
ADRA2A P08913 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 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
SCHEMBL21729216 0.83 TAAR1 (0.53) TAAR1BACE1GAAKDM4EKMT2A
SCHEMBL6022786 0.83 TAAR1 (0.53) TAAR1BACE1GAAKDM4EKMT2A
SCHEMBL1197584 0.75 TAAR1 (1.00) TAAR1BACE1GAAKDM4ECNR1
SCHEMBL11139559 0.75 KDM4E (0.59) TAAR1GAAKDM4ECNR1DAO
SCHEMBL1352 0.73 TAAR1 (0.58) TAAR1BACE1GAAKDM4ECNR1
SCHEMBL837828 0.73 ADRA2A (0.55) TAAR1BACE1GAAKMT2AMAPT
SCHEMBL3265635 0.73 TAAR1 (0.68) TAAR1BACE1GAAKDM4ECNR1
Hydrochloric Acid SCHEMBL3466920 0.73 TAAR1 (0.96) TAAR1BACE1GAAKDM4ECNR1
SCHEMBL837844 0.73 LMNA (0.41) TAAR1BACE1GAAMAPTMAPK8
SCHEMBL10263865 0.73 LMNA (0.41) TAAR1BACE1GAAMAPTMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 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 (1 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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 TAAR1 240/4885BACE1 897/4885GAA 4101/4885

“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.