SCHEMBL14670912

SCHEMBL14670912

CC(C)C1CCC2(CC1)CN(CC(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
OPRL1 P41146 3/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.31
FFAR4 Q5NUL3 3/20 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
SCHEMBL14671064 0.90 ITGB3 (0.35) ITGB3ITGA2BFFAR4
SCHEMBL14671076 0.86 HSD17B10 (0.32) TSHRHSD17B10
SCHEMBL14671072 0.85 OPRL1 (0.34) OPRL1TSHROPRM1CYP2D6
SCHEMBL15986915 0.81 ITGB3 (0.38) ITGB3ITGA2BHSD17B10
SCHEMBL23968808 0.81 ITGB3 (0.37) ITGB3ITGA2BTSHRHSD17B10CYP2D6
SCHEMBL15984371 0.77 SLC7A5 (0.36) OPRL1
SCHEMBL824228 0.77 HSD17B10 (0.44) ITGB3ITGA2BHSD17B10
SCHEMBL23515863 0.77 TSHR (0.33) TSHR
SCHEMBL14671067 0.76 KDM4E (0.32) OPRL1TSHROPRM1
SCHEMBL22301801 0.75 CYP2D6 (0.40) TSHRHSD17B10CYP2D6

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-9226923-B2 Spirocyclic molecules as protein kinase inhibitors NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-01-05 US disclosed
US-20140243303-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS BETA PHARMA CANADA INC. (CA) 2014-08-28 US disclosed
WO-2013013308-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS BETA PHARMA CANADA INC. (CA) 2013-01-31 WO 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 (1 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-20140243303-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS MET, RET, ALK ITGB3 1665/4885ITGA2B 2254/4885OPRL1 1764/4885

“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.