SCHEMBL19504445

SCHEMBL19504445

CC(C)(C)N1CC2(CCN(S(C)(=O)=O)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.41
CYP3A4 P08684 7/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 5/20 0.41
HSD17B10 Q99714 4/20 0.41
USP2 O75604 3/20 0.41
HIF1A Q16665 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 8/20 0.40
CYP2C9 P11712 6/20 0.40
TSHR P16473 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.39

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
SCHEMBL19505124 0.91 CYP2D6 (0.50) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL18418138 0.89 CYP2D6 (0.41) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL21094271 0.89 CYP2D6 (0.38) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL21287866 0.85 CYP2D6 (0.45) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL26881013 0.84 CRHBP (0.35) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL21287864 0.83 CYP3A4 (0.42) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL22257019 0.81 CYP2D6 (0.51) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL19504444 0.79 CYP2D6 (0.45) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL16261385 0.76 CYP2D6 (0.51) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL12683692 0.76 CYP2D6 (0.51) CYP2D6CYP3A4ALDH1A1CYP1A2HSD17B10

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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 CYP2D6 3645/4885CYP3A4 2855/4885ALDH1A1 1286/4885

“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.