SCHEMBL22764077

SCHEMBL22764077

CCCN[C@H]1CC[C@@H](OCCOC)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD38 P28907 9/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 4/20 0.33
DRD3 P35462 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 2/20 0.33
DRD4 P21917 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
SCHEMBL18687288 0.85 CD38 (0.34) CD38EPHX2
SCHEMBL18687467 0.85 CD38 (0.34) CD38EPHX2
SCHEMBL4805338 0.79 EPHX2 (0.33) EPHX2
SCHEMBL4805368 0.79 EPHX2 (0.33) EPHX2
SCHEMBL22764075 0.79 SMYD3 (0.34) CD38
SCHEMBL22764118 0.79 SMYD3 (0.34) CD38
SCHEMBL12200376 0.78 NPC1 (0.34) CD38
SCHEMBL13652632 0.78
SCHEMBL18687289 0.77 CD38 (0.36) CD38EPHX2
SCHEMBL1678882 0.76

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-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS GB005 INC (US) 2020-12-10 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-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS BMX, TEC, BTK CD38 2840/4885CYP1A2 3658/4885CYP2D6 2275/4885

“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.