SCHEMBL24911005

SCHEMBL24911005

CCc1c(C(C)(C)C)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
TAAR1 Q96RJ0 2/20 0.39
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RX7 Q99572 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
IDO1 P14902 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL12313392 0.91 TAAR1 (0.43) TAAR1GABRA1GABRB2ALDH1A1TDP1
SCHEMBL25771233 0.79 GABRA1 (0.46) TAAR1GABRA1GABRB2SMN1; SMN2IDO1
SCHEMBL13856265 0.79 TAAR1 (0.39) TAAR1GABRA1GABRB2ALDH1A1TDP1
SCHEMBL11148941 0.79 TAAR1 (0.39) TAAR1GABRA1GABRB2ALDH1A1P2RX7
SCHEMBL5407429 0.79 SLC6A2 (0.43) TAAR1ALDH1A1P2RX7SMN1; SMN2SLC6A2
SCHEMBL21667970 0.79 TAAR1 (0.36) TAAR1ALDH1A1TSHRP2RX7SMN1; SMN2
SCHEMBL11150461 0.78 NOS3 (0.39) TAAR1ALDH1A1TSHRTDP1P2RX7
SCHEMBL24450927 0.78 GABRA1 (0.40) CA2TAAR1GABRA1GABRB2ALDH1A1
SCHEMBL16939396 0.78 P2RX7 (0.41) TAAR1P2RX7
SCHEMBL26187084 0.78 HSD11B1 (0.39) CA2TAAR1GABRA1GABRB2P2RX7

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-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 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-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS CA2 4725/4885TAAR1 4794/4885GABRA1 1771/4885

“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.