SCHEMBL22560184

SCHEMBL22560184

CC(C)(C)c1cc(C(F)(F)F)nn1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.38
NR3C2 P08235 1/20 0.35
LRRK2 Q5S007 2/20 0.34
PLAT P00750 1/20 0.33
PDE10A Q9Y233 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL19954636 0.93 NR3C2 (0.39) TGFBR1NR3C2LRRK2PLATPDE10A
SCHEMBL19954631 0.89 TGFBR1 (0.43) TGFBR1NR3C2LRRK2PDE10A
SCHEMBL15069885 0.87 MAPK13 (0.40) LRRK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL19954641 0.85 NR3C1 (0.35) TGFBR1NR3C2L3MBTL1
SCHEMBL19954623 0.85 CYP1A2 (0.32) TGFBR1LRRK2
SCHEMBL19954603 0.82 TRPV4 (0.43) TGFBR1NR3C2LMNAGAATRPV4
SCHEMBL25745871 0.81 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL24815018 0.79 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL21780763 0.79 GAA (0.40) TGFBR1NR3C2LRRK2PDE10AKDM4E
SCHEMBL24815019 0.77 NTRK1 (0.37) TGFBR1MAPK13MAPK12MAPK11MAPK14

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-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-02-04 US disclosed
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 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-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 TGFBR1 4618/4885NR3C2 12/4885LRRK2 3854/4885
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 TGFBR1 4618/4885NR3C2 12/4885LRRK2 3854/4885

“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.