SCHEMBL16419901

SCHEMBL16419901

CC1CC2(C)CCCC(C)(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM1A O60341 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
NR1H2 P55055 1/20 0.33
PREP P48147 2/20 0.32
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BUB1 O43683 1/20 0.31
RECQL P46063 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
SCHEMBL29431708 0.84 USP2 (0.38) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL30277219 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL28484797 0.79 KDM1A (0.39) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL22214267 0.79 KDM1A (0.39) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL25176823 0.79 KDM1A (0.39) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL16414603 0.78 NR1H2 (0.40) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL16414303 0.77 BUB1 (0.39) CHRM2CHRM1CHRM3HPGDKDM1A
SCHEMBL22313086 0.76 KDM1A (0.35) CHRM2CHRM1CHRM3HPGDEPHX2
SCHEMBL16419900 0.76 BUB1 (0.35) CHRM2CHRM1CHRM3HPGDKDM1A
SCHEMBL16468545 0.75 CTSK (0.42) CHRM2CHRM1CHRM3HPGDEPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031887-A1 9-AZANORADAMANTANE N-OXYL COMPOUND AND METHOD FOR PRODUCING SAME, AND ORGANIC OXIDATION CATALYST AND METHOD FOR OXIDIZING ALCOHOLS USING 9-AZANORADAMANTANE N-OXYL COMPOUND TOHOKU UNIVERSITY (JP) 2015-01-29 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-20150031887-A1 9-AZANORADAMANTANE N-OXYL COMPOUND AND METHOD FOR PRODUCING SAME, AND ORGANIC OXIDATION CATALYST AND METHOD FOR OXIDIZING ALCOHOLS USING 9-AZANORADAMANTANE N-OXYL COMPOUND TET2, FTO, NOX4 CHRM2 241/4885CHRM1 70/4885CHRM3 489/4885

“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.