SCHEMBL22142134

SCHEMBL22142134

CCN1CCC[C@H](C)[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 2/20 0.32
HTT P42858 1/20 0.32
HRH3 Q9Y5N1 4/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22142221 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1SIGMAR1HTTHRH3
SCHEMBL22142226 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1SIGMAR1HTTHRH3
SCHEMBL22142133 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1SIGMAR1HTTHRH3
SCHEMBL8442153 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1SIGMAR1HTTHRH3
SCHEMBL17354466 0.91 ALDH1A1 (0.33) ALDH1A1SIGMAR1
SCHEMBL22142300 0.85
SCHEMBL22142389 0.85
SCHEMBL17809024 0.85
SCHEMBL22142184 0.85
SCHEMBL17693485 0.85

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 3 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
WO-2020132384-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION (US) 2020-06-25 WO 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 ALDH1A1 4498/4885L3MBTL1 3299/4885SIGMAR1 3836/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 ALDH1A1 4498/4885L3MBTL1 3299/4885SIGMAR1 3836/4885

“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.