SCHEMBL21801899

SCHEMBL21801899

CC(C)(C)OC(=O)N1CCCC2(CC1)CNC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
USP2 O75604 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.40
ACACB O00763 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL994268 0.94 USP2 (0.50) HPGDUSP2SMN1; SMN2EPHX2EPHX1
Hydrochloric Acid SCHEMBL994266 0.92 USP2 (0.49) HPGDUSP2SMN1; SMN2EPHX2EPHX1
Oxalic Acid SCHEMBL19379764 0.89 USP2 (0.46) HPGDUSP2SMN1; SMN2EPHX2ACACB
SCHEMBL2177880 0.88 HPGD (0.42) HPGDUSP2SMN1; SMN2EPHX2MEN1
SCHEMBL485160 0.87 USP2 (0.44) HPGDUSP2SMN1; SMN2EPHX2EPHX1
SCHEMBL485158 0.87 CYP1A2 (0.49) HPGDUSP2SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL20512854 0.87 HPGD (0.41) HPGDUSP2SMN1; SMN2EPHX2MEN1
SCHEMBL27092888 0.86 USP2 (0.46) HPGDUSP2SMN1; SMN2EPHX2ACACB
Hydrochloric Acid SCHEMBL15378006 0.85 USP2 (0.43) HPGDUSP2SMN1; SMN2EPHX2EPHX1
SCHEMBL1426565 0.84 CYP11B2 (0.47) USP2SMN1; SMN2EPHX2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025098331-A1 AZA-BRIDGED RING DERIVATIVE 正大天晴药业集团股份有限公司 2025-05-15 WO disclosed
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US disclosed
EP-3849974-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP disclosed
CN-112673007-A Pyrazolopyridine amine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-16 CN disclosed
WO-2020052738-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO 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-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, KCNJ1, KCNJ11 HPGD 3094/4885USP2 4755/4885SMN1; SMN2 1669/4885

“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.