SCHEMBL8436147

SCHEMBL8436147

C=CCN1CCC[C@H]1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 7/20 0.38
DRD3 P35462 6/20 0.38
DRD4 P21917 5/20 0.38
SPHK2 Q9NRA0 7/20 0.38
SPHK1 Q9NYA1 7/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
CA5A P35218 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
SCHEMBL11300057 1.00 POLB (0.42) POLBL3MBTL1DRD2DRD3DRD4
SCHEMBL11219569 0.94 POLB (0.37) POLBL3MBTL1DRD2DRD3DRD4
SCHEMBL8799867 0.82 CHRNB2 (0.37) DRD2DRD3DRD4CA12CA1
SCHEMBL2573666 0.80 POLB (0.47) POLBL3MBTL1SPHK2SPHK1
SCHEMBL5804458 0.80 DRD2 (0.38) DRD2DRD3DRD4CA12CA1
SCHEMBL8514098 0.80 POLB (0.47) POLBL3MBTL1SPHK2SPHK1
SCHEMBL11445454 0.80 DRD2 (0.36) DRD2DRD3DRD4CA12CA1
SCHEMBL11251940 0.80 DRD2 (0.36) DRD2DRD3DRD4CA12CA1
SCHEMBL9154751 0.80 DRD2 (0.38) DRD2DRD3DRD4CA12CA1
SCHEMBL7372904 0.77 DRD2 (0.36) DRD2DRD3DRD4CA12CA1

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
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY 2024-07-11 US disclosed
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY 2024-07-11 US disclosed
CN-117500799-A Substituted fused azines as KRAS G12D inhibitors 伊莱利利公司 2024-02-02 CN disclosed
US-20230257374-A1 NOVEL KRAS G12C PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF INNOVENT BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-08-17 US disclosed
WO-2022261154-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY (US) 2022-12-15 WO disclosed
WO-2022261154-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY (US) 2022-12-15 WO disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 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-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS KRAS, NRAS, TP53 POLB 2327/4885L3MBTL1 2974/4885DRD2 893/4885
US-20230257374-A1 NOVEL KRAS G12C PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF KRAS, NRAS, RASGRP1 POLB 2660/4885L3MBTL1 4464/4885DRD2 4794/4885

“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.