SCHEMBL2902862

SCHEMBL2902862

CC(C)(C)OC(=O)N1CCCC(O)C1CO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.41
NR1H2 P55055 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCRTR2 O43614 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 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
SCHEMBL17679813 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1NPC1NR1H2
SCHEMBL30742973 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1NPC1NR1H2
SCHEMBL25765827 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1NPC1NR1H2
SCHEMBL1178180 0.90 NR1H2 (0.43) HSD17B10SMN1; SMN2ALDH1A1NR1H2CHRM2
SCHEMBL8199039 0.90 NR1H2 (0.43) HSD17B10SMN1; SMN2ALDH1A1NR1H2CHRM2
SCHEMBL14428300 0.90 NR1H2 (0.43) HSD17B10SMN1; SMN2ALDH1A1NR1H2CHRM2
SCHEMBL2567234 0.90 NR1H2 (0.43) HSD17B10SMN1; SMN2ALDH1A1NR1H2CHRM2
SCHEMBL653778 0.90 NR1H2 (0.43) HSD17B10SMN1; SMN2ALDH1A1NR1H2CHRM2
SCHEMBL27341841 0.84 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1NPC1NR1H2
SCHEMBL27341843 0.84 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1NPC1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008787-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS INC (US) 2026-01-08 US disclosed
EP-4551577-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE Blossomhill Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790058-A Fused cyclic KRAS inhibitors for the treatment of diseases 荣山医药股份有限公司 2025-04-08 CN disclosed
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 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-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 HSD17B10 3681/4885SMN1; SMN2 2573/4885ALDH1A1 2871/4885
US-20260008787-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE KRAS, NRAS, HRAS HSD17B10 1511/4885SMN1; SMN2 2415/4885ALDH1A1 2043/4885

“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.