SCHEMBL25447997

SCHEMBL25447997

CCCN(CCC)CCn1c(=O)c(C(=O)OCC)c(O)c2cc(Br)cnc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.42
CNR2 P34972 4/20 0.41
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL25452996 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL24003104 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL2087341 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL20568495 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL25448263 0.82 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL30187192 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNACNR2
SCHEMBL30187103 0.82 CNR2 (0.53) ALDH1A1SMN1; SMN2KDM4ELMNACNR2
SCHEMBL24003154 0.82 CNR2 (0.53) ALDH1A1SMN1; SMN2KDM4ELMNACNR2
SCHEMBL25446809 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNACNR2
SCHEMBL24003102 0.81 CNR2 (0.61) ALDH1A1SMN1; SMN2CNR2

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-20230143502-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF TEON THERAPEUTICS, INC 2023-05-11 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 (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-20230143502-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF CNR2, CNR1, GPR18 ALDH1A1 3600/4885SMN1; SMN2 3507/4885KDM4E 3170/4885

“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.