SCHEMBL21276381

SCHEMBL21276381

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NCc3ccc(C(F)(F)F)cc3)C[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.48
NR1H2 P55055 1/20 0.47
TACR1 P25103 3/20 0.46
MAPT P10636 2/20 0.46
JAK1 P23458 2/20 0.44
JAK2 O60674 1/20 0.44
RORC P51449 3/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
LIPE Q05469 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
NAMPT P43490 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL25261179 0.91 TEAD1 (0.52) TEAD1TACR1MAPTRORCBCHE
SCHEMBL21276388 0.87 NR1H2 (0.50) NR1H2JAK1JAK2MEN1CYP2C19
SCHEMBL4875893 0.86 JAK1 (0.54) NR1H2TACR1JAK1JAK2RORC
SCHEMBL10320157 0.86 JAK1 (0.54) NR1H2TACR1JAK1JAK2RORC
SCHEMBL10449417 0.86 JAK1 (0.54) NR1H2TACR1JAK1JAK2RORC
SCHEMBL22435955 0.86 JAK1 (0.54) NR1H2TACR1JAK1JAK2RORC
SCHEMBL29716428 0.83 NR1H2 (0.56) TEAD1NR1H2TACR1MAPTJAK1
SCHEMBL25326804 0.81 PHGDH (0.49) NR1H2TACR1MAPTRORCLIPE
SCHEMBL3457225 0.81 TEAD1 (0.61) TEAD1MAPTBCHEACHEBACE1
SCHEMBL29588708 0.81 TEAD1 (0.47) TEAD1TACR1MAPTRORCBCHE

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-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 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 (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-10385057-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL TEAD1 4229/4885NR1H2 377/4885TACR1 1899/4885

“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.