SCHEMBL21797138

SCHEMBL21797138

CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C#N)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.46
JAK2 O60674 6/20 0.45
JAK1 P23458 6/20 0.45
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
DPP4 P27487 1/20 0.42
CTSK P43235 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
SCHEMBL18399058 1.00 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL17310444 0.88 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL17310443 0.88 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL17310442 0.88 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL15073250 0.86 NR1H2 (0.45) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL15147124 0.86 NR1H2 (0.45) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL2738098 0.86 NR1H2 (0.45) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL219779 0.86 NR1H2 (0.45) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL2934516 0.86 NR1H2 (0.45) MEN1ALDH1A1MAPTKMT2ARECQL
SCHEMBL13438546 0.86 NR1H2 (0.45) MEN1ALDH1A1MAPTKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 CN disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 MEN1 4441/4885ALDH1A1 3655/4885MAPT 90/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 MEN1 4665/4885ALDH1A1 3623/4885MAPT 14/4885

“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.