SCHEMBL22142247

SCHEMBL22142247

CN1CCC[C@@H](C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NCF1 P14598 1/20 0.34
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 2/20 0.31
EPHX1 P07099 1/20 0.31
CHRM3 P20309 1/20 0.30
EPHX2 P34913 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL10236411 1.00 L3MBTL1 (0.37) L3MBTL1ATMCYP2D6KCNH2HRH3
SCHEMBL179337 0.90 NCF1 (0.40) CYP2D6KCNH2HRH3NCF1CYP1A2
SCHEMBL12018058 0.84 HTT (0.33) L3MBTL1ATMCYP2D6KCNH2HRH3
SCHEMBL18923903 0.81 ATM (0.49) L3MBTL1ATMCYP2D6KCNH2HRH3
SCHEMBL2612760 0.81 ATM (0.49) L3MBTL1ATMCYP2D6KCNH2HRH3
SCHEMBL6784593 0.81 ATM (0.49) L3MBTL1ATMCYP2D6KCNH2HRH3
SCHEMBL25630748 0.80 NCF1 (0.35) L3MBTL1ATMNCF1
SCHEMBL15038219 0.79 ATM (0.36) L3MBTL1ATMHRH3NCF1ALDH1A1
SCHEMBL25949258 0.79 ATM (0.36) L3MBTL1ATMHRH3NCF1ALDH1A1
SCHEMBL24663753 0.78 ATM (0.41) L3MBTL1ATM

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-11168093-B2 Thienopyridine inhibitors of RIPK2 CELGENE CORPORATION (US) 2021-11-09 US disclosed
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION 2020-06-25 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-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 L3MBTL1 3299/4885ATM 3190/4885CYP2D6 2953/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 L3MBTL1 3299/4885ATM 3190/4885CYP2D6 2953/4885

“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.