SCHEMBL30923948

SCHEMBL30923948

CC(C)(C)OC(=O)N1C[C@@H](N)C(F)(F)[C@H]1COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
KDM1A O60341 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
TACR1 P25103 3/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KLK7 P49862 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GHSR Q92847 2/20 0.37
AGTR2 P50052 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
STS P08842 1/20 0.36
ABCB1 P08183 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL30957911 1.00 PARP1 (0.40) PARP1KDM1ANR1H2NR1H3TACR1
SCHEMBL30924028 0.88 NR1H2 (0.39) PARP1NR1H2NR1H3TACR1KLK7
SCHEMBL27219972 0.85 AGTR2 (0.41) AGTR2
SCHEMBL30924048 0.82 HCRTR2 (0.42) PARP1NR1H2NR1H3TACR1KLK7
SCHEMBL30924050 0.82 HCRTR2 (0.42) PARP1NR1H2NR1H3TACR1KLK7
SCHEMBL30923995 0.82 NR1H2 (0.36) PARP1NR1H2NR1H3TACR1KLK7
SCHEMBL30923959 0.81 STS (0.40) PARP1NR1H2NR1H3TACR1KLK7
SCHEMBL30923947 0.81 NR1H2 (0.40) PARP1NR1H2NR1H3TACR1KLK7
SCHEMBL1178148 0.79 TACR1 (0.42) PARP1KDM1ANR1H2NR1H3TACR1
SCHEMBL1178154 0.79 TACR1 (0.42) PARP1KDM1ANR1H2NR1H3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122071471-A Heterocyclic compounds 武田药品工业株式会社 2026-05-22 CN disclosed
CN-122010946-A Heterocyclic compounds 武田药品工业株式会社 2026-05-12 CN disclosed
CN-122010945-A Heterocyclic compounds 武田药品工业株式会社 2026-05-12 CN disclosed
US-12534471-B2 Pyrrolo[1, 2-c]imidazole derivatives as orexin type 2 receptor agonists and methods of use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-27 US disclosed
EP-4612145-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2025-09-10 EP disclosed
US-20240317765-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-26 US disclosed
US-20240174677-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-05-30 US disclosed
WO-2024095133-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-05-10 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 (3 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-20240317765-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NPY2R PARP1 4250/4885KDM1A 473/4885NR1H2 170/4885
US-20240174677-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NPY2R PARP1 4250/4885KDM1A 473/4885NR1H2 170/4885
US-12534471-B2 Pyrrolo[1, 2-c]imidazole derivatives as orexin type 2 receptor agonists and methods of use thereof HCRTR2, HCRTR1, NPY1R PARP1 4122/4885KDM1A 1480/4885NR1H2 79/4885

“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.