SCHEMBL22966580

SCHEMBL22966580

CC(C)(C)c1nnc(C2CCCN2)o1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.40
CHRM2 P08172 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL16399967 0.77 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL16399969 0.77 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL19914300 0.74 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL13172381 0.73 PDK2 (0.45) CYP2C19LMNAALDH1A1HPGD
SCHEMBL15356031 0.73 PDK2 (0.42) CYP2C19LMNAALDH1A1HPGD
SCHEMBL21163172 0.72 CYP2C19 (0.45) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL16399731 0.72 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL16399734 0.72 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL17916129 0.72 PLAT (0.43) KMT2AMEN1
SCHEMBL12783412 0.72 PDK2 (0.38) CYP2C19KMT2AALDH1A1MEN1MAPT

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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP CYP1A2 1133/4885CYP2C9 2964/4885CYP2C19 2147/4885

“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.