SCHEMBL25909443

SCHEMBL25909443

BC(C)(P)c1ccc(OC)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
CYP2D6 P10635 2/20 0.39
ADRA2A P08913 2/20 0.37
ADRA1A P35348 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 1/20 0.36
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL25905434 0.79 CYP2D6 (0.41) SCN1ASCN2ASCN3ACYP2D6ADRA2A
SCHEMBL21138993 0.77 CYP2D6 (0.42) SCN1ASCN2ASCN3ACYP2D6ADRA2A
SCHEMBL17988494 0.75 CA1 (0.47) SCN1ASCN2ASCN3ACYP2D6ADRA2A
SCHEMBL10304814 0.72 CYP2D6 (0.50) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL13784396 0.70 AR (0.43) CYP2D6CYP1A2CYP2A6P2RX3P2RX2
SCHEMBL2737299 0.69 CYP2D6 (0.47) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL487152 0.69 CYP2D6 (0.67) SCN1ASCN2ASCN3ACYP2D6ADRA2A
SCHEMBL1494189 0.67 CYP2D6 (0.46) SCN1ASCN2ASCN3ACYP2D6ADRA2A
SCHEMBL19363996 0.67 CYP2D6 (0.46) SCN1ASCN2ASCN3ACYP2D6ADRA2A
SCHEMBL8802746 0.67 ALDH1A1 (0.53) CYP2D6ADRA2AADRA1AMEN1KMT2A

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-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 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-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A SCN1A 1194/4885SCN2A 2909/4885SCN3A 1992/4885

“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.