SCHEMBL22142106

SCHEMBL22142106

C[C@@H]1CCCN(CCO)[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
OPRD1 P41143 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HRH3 Q9Y5N1 12/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22142027 1.00 HTT (0.38) HTTOPRD1OPRM1OPRL1HRH3
SCHEMBL22142105 1.00 HTT (0.38) HTTOPRD1OPRM1OPRL1HRH3
SCHEMBL22142055 1.00 HTT (0.38) HTTOPRD1OPRM1OPRL1HRH3
SCHEMBL22142193 0.87 GBA1 (0.32) HTT
SCHEMBL22142186 0.87 GBA1 (0.32) HTT
SCHEMBL22142303 0.87 GBA1 (0.32) HTT
SCHEMBL22142187 0.87 GBA1 (0.32) HTT
SCHEMBL22142390 0.87 GBA1 (0.32) HTT
SCHEMBL15508579 0.81 LMNA (0.39)
SCHEMBL22142679 0.79 HRH3 (0.32) HRH3

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 HTT 1608/4885OPRD1 2897/4885OPRM1 4508/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 HTT 1608/4885OPRD1 2897/4885OPRM1 4508/4885

“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.