SCHEMBL22142010

SCHEMBL22142010

COCCN1CCC[C@H](C)[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
KCNH2 Q12809 3/20 0.35
HRH3 Q9Y5N1 6/20 0.34
ALDH1A1 P00352 2/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL22142006 1.00 GBA1 (0.41) GBA1KCNH2HRH3ALDH1A1OPRD1
SCHEMBL22141999 1.00 GBA1 (0.41) GBA1KCNH2HRH3ALDH1A1OPRD1
SCHEMBL22142003 1.00 GBA1 (0.41) GBA1KCNH2HRH3ALDH1A1OPRD1
SCHEMBL22142028 0.81 CYP2D6 (0.38) KCNH2OPRD1
SCHEMBL22142110 0.81 CYP2D6 (0.38) KCNH2OPRD1
SCHEMBL22142031 0.81 CYP2D6 (0.38) KCNH2OPRD1
SCHEMBL22142248 0.80 GBA1 (0.41) GBA1KCNH2HRH3ALDH1A1
SCHEMBL22142842 0.80 GBA1 (0.38) GBA1KCNH2HRH3ALDH1A1
SCHEMBL22142241 0.80 GBA1 (0.41) GBA1KCNH2HRH3ALDH1A1
SCHEMBL16418015 0.80 HRH3 (0.50) KCNH2HRH3

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 GBA1 4629/4885KCNH2 1015/4885HRH3 779/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 GBA1 4629/4885KCNH2 1015/4885HRH3 779/4885

“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.