SCHEMBL23308031

SCHEMBL23308031

CC(C)CCNC(O)c1ccccc1Nc1ccc(OCc2ccccn2)cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.38
▸ HTR5A P47898 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33

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
SCHEMBL23308014 0.87 CNR2 (0.34) CNR2ALDH1A1SMN1; SMN2KMT2AFGFR4
SCHEMBL21617159 0.83 CNR2 (0.42) CNR2ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL31504370 0.83 CNR2 (0.42) CNR2ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL31504329 0.79 BRD4 (0.43) CNR2SMN1; SMN2KMT2ABRD4PARP10
SCHEMBL21617202 0.79 BRD4 (0.43) CNR2SMN1; SMN2KMT2ABRD4PARP10
SCHEMBL21617255 0.77 CNR2 (0.42) CNR2KMT2ABRD4MAPK14SMO
SCHEMBL31504418 0.77 CNR2 (0.42) CNR2KMT2ABRD4MAPK14SMO
SCHEMBL21623405 0.77 CNR2 (0.39) CNR2HTR5AALDH1A1MAPTTSHR
SCHEMBL31504346 0.77 CNR2 (0.39) CNR2HTR5AALDH1A1MAPTTSHR
SCHEMBL21623471 0.73 DDX3X (0.41) MCHR1

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-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — 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-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION NSUN3, CBR3, C1R CNR2 496/4885HTR5A 2570/4885ALDH1A1 3246/4885

“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.

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