SCHEMBL22142012

SCHEMBL22142012

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
THRB P10828 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 3/20 0.31
CYP2D6 P10635 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
USP2 O75604 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
SCHEMBL22142001 1.00 BLM (0.34) BLMMCOLN3LMNACHRM2CHRM4
SCHEMBL22142008 1.00 BLM (0.34) BLMMCOLN3LMNACHRM2CHRM4
SCHEMBL22142250 0.79 SMN1; SMN2 (0.37) BLMMCOLN3LMNACHRM2CHRM4
SCHEMBL22142119 0.79 SMN1; SMN2 (0.37) BLMMCOLN3LMNACHRM2CHRM4
SCHEMBL22142116 0.79 SMN1; SMN2 (0.37) BLMMCOLN3LMNACHRM2CHRM4
SCHEMBL22142251 0.77 ALDH1A1 (0.35) BLMMCOLN3LMNACHRM2CHRM4
SCHEMBL22142175 0.77 ALDH1A1 (0.35) BLMMCOLN3LMNACHRM2CHRM4
SCHEMBL22142176 0.77 ALDH1A1 (0.35) BLMMCOLN3LMNACHRM2CHRM4
SCHEMBL22142011 0.77 MAPK1 (0.37) THRBMAPTUSP2
SCHEMBL22142000 0.77 MAPK1 (0.37) THRBMAPTUSP2

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 BLM 3264/4885MCOLN3 4407/4885LMNA 3725/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 BLM 3264/4885MCOLN3 4407/4885LMNA 3725/4885

“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.