SCHEMBL21913758

SCHEMBL21913758

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.49
▸ HPGD P15428 1/20 0.44
▸ DDB1 Q16531 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GPR119 Q8TDV5 3/20 0.39
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL28840060 1.00 NR1H2 (0.49) NR1H2HPGDDDB1CRBNUSP2
Hydrochloric Acid SCHEMBL29596834 0.98 NR1H2 (0.47) NR1H2HPGDDDB1CRBNUSP2
SCHEMBL15313304 0.87 NR1H2 (0.53) NR1H2HPGDDDB1CRBNUSP2
SCHEMBL16759817 0.85 NR1H2 (0.58) NR1H2HPGDDDB1CRBNUSP2
SCHEMBL18082348 0.85 NR1H2 (0.58) NR1H2HPGDDDB1CRBNUSP2
SCHEMBL23906938 0.84 NR1H2 (0.51) NR1H2HPGDDDB1CRBNUSP2
SCHEMBL16080285 0.83 NR1H2 (0.50) NR1H2HPGDDDB1CRBNUSP2
SCHEMBL18115862 0.83 NR1H2 (0.50) NR1H2HPGDDDB1CRBNUSP2
SCHEMBL18115864 0.83 NR1H2 (0.50) NR1H2HPGDDDB1CRBNUSP2
SCHEMBL400513 0.80 NR1H2 (0.50) NR1H2HPGDDDB1CRBNUSP2

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
US-20250263424-A1 KRAS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-08-21 — — US disclosed
EP-4568952-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-06-18 — — EP disclosed
WO-2024036270-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-15 — — WO disclosed
US-20200085791-A1 [(PHENYLSULFONYL)OCTAHYDRO-EPIMINOISOINDOL-YL](1H-1,2,3-TRIAZOL-5-YL)METHANONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 — — 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-20250263424-A1 KRAS INHIBITORS KRAS, NRAS, HRAS NR1H2 3132/4885HPGD 2494/4885DDB1 117/4885
US-20200085791-A1 [(PHENYLSULFONYL)OCTAHYDRO-EPIMINOISOINDOL-YL](1H-1,2,3-TRIAZOL-5-YL)METHANONES PKD1, CCND2, SRD5A1 NR1H2 77/4885HPGD 106/4885DDB1 3633/4885

“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.

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