SCHEMBL19902579

SCHEMBL19902579

CC(C)(C)OC(=O)NC1CCC(c2cn(C(C3CC3)C3CC3)c(=O)c3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
DRD2 P14416 4/20 0.41
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SHMT2 P34897 1/20 0.39
MAPK8 P45983 1/20 0.39
KCNA3 P22001 1/20 0.39
BTK Q06187 2/20 0.38
EPHX2 P34913 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
NAMPT P43490 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL17452779 0.89 KMT2A (0.37) KDM1AMAOBJAK2JAK1TYK2
SCHEMBL19902533 0.79 JAK1 (0.45) KDM1AMAOBJAK2JAK1TYK2
SCHEMBL17437936 0.72 ROCK2 (0.35) KMT2ASHMT2
SCHEMBL17452549 0.71 KMT2A (0.37) KDM1AMAOBJAK2JAK1TYK2
SCHEMBL19380852 0.70 KDM1A (0.68) KDM1AMAOBJAK2JAK1TYK2
SCHEMBL9638796 0.70 KDM1A (0.55) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL9638841 0.70 KDM1A (0.55) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL3349201 0.69 JAK1 (0.53) KDM1AMAOBJAK2JAK1TYK2
SCHEMBL20792154 0.69 JAK1 (0.44) KDM1AMAOBJAK2JAK1TYK2
SCHEMBL5102068 0.68 DRD2 (0.54) DRD2OPRM1OPRD1OPRK1OGFRL1

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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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 (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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 KDM1A 1333/4885MAOB 2525/4885JAK2 1072/4885

“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.