SCHEMBL22845474

SCHEMBL22845474

CC(NC(C)(C)Cc1ccc(CNC(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
OPRK1 P41145 2/20 0.41
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
CACNA1D Q01668 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
TRPA1 O75762 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL22845470 0.86 OPRK1 (0.47) SMN1; SMN2LMNACYP2D6OPRK1CACNA1F
SCHEMBL12654239 0.82 MMP9 (0.46) SMN1; SMN2LMNACYP2D6OPRK1TRPA1
SCHEMBL24174295 0.77 SIGMAR1 (0.69) SMN1; SMN2CYP2D6OPRK1CACNA1FCHRM2
SCHEMBL125129 0.73 CYP3A4 (0.52) LMNACYP2D6SIGMAR1LTA4H
SCHEMBL14469645 0.72 OPRK1 (0.47) SMN1; SMN2LMNACYP2D6OPRK1CACNA1F
SCHEMBL11818840 0.71 LMNA (0.63) LMNACYP2D6TRPA1
SCHEMBL2622208 0.71 CHRM2 (0.59) SMN1; SMN2LMNACYP2D6OPRK1CACNA1F
Bromide SCHEMBL11038149 0.71 CYP3A4 (0.50) LMNACYP2D6SIGMAR1LTA4H
SCHEMBL8260622 0.71 CHRM2 (0.59) SMN1; SMN2LMNACYP2D6OPRK1CACNA1F
SCHEMBL2622209 0.71 CHRM2 (0.59) SMN1; SMN2LMNACYP2D6OPRK1CACNA1F

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (2 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-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL SMN1; SMN2 1114/4885LMNA 1680/4885CYP2D6 81/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL SMN1; SMN2 1114/4885LMNA 1680/4885CYP2D6 81/4885

“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.