SCHEMBL22142116

SCHEMBL22142116

CC(=O)N1CCC=C(C(C)(C)C)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.35
BLM P54132 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
THRB P10828 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
RIPK2 O43353 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
SCHEMBL22142119 1.00 SMN1; SMN2 (0.37) SMN1; SMN2POLBBLMMCOLN3LMNA
SCHEMBL22142250 1.00 SMN1; SMN2 (0.37) SMN1; SMN2POLBBLMMCOLN3LMNA
SCHEMBL22142011 0.81 MAPK1 (0.37) SMN1; SMN2THRB
SCHEMBL22142000 0.81 MAPK1 (0.37) SMN1; SMN2THRB
SCHEMBL22142007 0.81 MAPK1 (0.37) SMN1; SMN2THRB
SCHEMBL22142001 0.79 BLM (0.34) POLBBLMMCOLN3LMNACHRM2
SCHEMBL22142012 0.79 BLM (0.34) POLBBLMMCOLN3LMNACHRM2
SCHEMBL22142008 0.79 BLM (0.34) POLBBLMMCOLN3LMNACHRM2
SCHEMBL22142280 0.72 MAOA (0.31) BLMMCOLN3
SCHEMBL22142277 0.72 MAOA (0.31) BLMMCOLN3

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 SMN1; SMN2 2165/4885POLB 3721/4885BLM 3264/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 SMN1; SMN2 2165/4885POLB 3721/4885BLM 3264/4885

“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.