SCHEMBL21094341

SCHEMBL21094341

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NCc3ccccc3Cl)C[C@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
JAK1 P23458 2/20 0.44
JAK2 O60674 1/20 0.44
MAPT P10636 1/20 0.43
NAMPT P43490 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
KDM1A O60341 1/20 0.42
STS P08842 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39

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
SCHEMBL20557045 1.00 NR1H2 (0.47) NR1H2JAK1JAK2MAPTNAMPT
SCHEMBL69764 0.84 MAPT (0.54) MAPTKEAP1NFE2L2KDM1ASTS
SCHEMBL22435955 0.84 JAK1 (0.54) NR1H2JAK1JAK2NAMPTKEAP1
SCHEMBL20556787 0.84 KCNK3 (0.54) NR1H2MAPTNAMPTKEAP1NFE2L2
SCHEMBL10449417 0.84 JAK1 (0.54) NR1H2JAK1JAK2NAMPTKEAP1
SCHEMBL10320157 0.84 JAK1 (0.54) NR1H2JAK1JAK2NAMPTKEAP1
SCHEMBL4875893 0.84 JAK1 (0.54) NR1H2JAK1JAK2NAMPTKEAP1
SCHEMBL24970468 0.81 FAAH (0.57) NR1H2JAK1JAK2MAPTNAMPT
SCHEMBL20567053 0.81 FAAH (0.57) NR1H2JAK1JAK2MAPTNAMPT
SCHEMBL20567052 0.81 FAAH (0.57) NR1H2JAK1JAK2MAPTNAMPT

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-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 US disclosed
US-10323038-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2019-06-18 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-10323038-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL NR1H2 377/4885JAK1 2906/4885JAK2 3181/4885
US-10385057-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL NR1H2 377/4885JAK1 2906/4885JAK2 3181/4885

“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.