SCHEMBL105303

SCHEMBL105303

CC(C)NCC1(O)CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.32

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
SCHEMBL26717656 0.88
SCHEMBL26718595 0.88
SCHEMBL26717659 0.88
SCHEMBL19982860 0.86
SCHEMBL9963358 0.84
SCHEMBL17830454 0.82 DRD2 (0.34) DRD2
SCHEMBL13532071 0.80 DRD2 (0.39) DRD2
SCHEMBL17776630 0.78 EPHX1 (0.31)
SCHEMBL19766538 0.76 EPHX1 (0.31) ALDH1A1
SCHEMBL15001306 0.76

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
WO-2023209090-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR APPLICATION IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
WO-2023209084-A1 CONDENSED BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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 (5 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 ALDH1A1 3128/4885DRD2 3469/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885DRD2 4864/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885DRD2 4864/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2071/4885DRD2 2101/4885
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2764/4885DRD2 4126/4885

“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.