SCHEMBL16117658

SCHEMBL16117658

CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL16117659 0.92 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16117660 0.92 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16591595 0.92 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL15781126 0.92 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16624956 0.91 GRIN2D (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13697423 0.89 CYP3A4 (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13174020 0.87 HSD11B1 (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL17717154 0.87 HSD11B1 (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13697436 0.87 HSD11B1 (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL17281974 0.85 GRIN2D (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 US disclosed
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 US disclosed
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-11787766-B2 Compound having PD-L1 inhibitory activity, preparation method therefor and use thereof SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2023-10-17 US disclosed
US-11787766-B2 Compound having PD-L1 inhibitory activity, preparation method therefor and use thereof SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2023-10-17 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
US-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-22 US disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
US-20150087628-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-03-26 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 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 (12 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 GRIN2D 4015/4885GRIN3B 3529/4885CHRM2 4866/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 GRIN2D 4695/4885GRIN3B 4312/4885CHRM2 2172/4885
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GRIN2D 4188/4885GRIN3B 3564/4885CHRM2 4806/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GRIN2D 4188/4885GRIN3B 3564/4885CHRM2 4806/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 GRIN2D 4521/4885GRIN3B 3885/4885CHRM2 4804/4885
US-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GRIN2D 4750/4885GRIN3B 4131/4885CHRM2 4703/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A GRIN2D 1215/4885GRIN3B 1156/4885CHRM2 1556/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GRIN2D 4750/4885GRIN3B 4131/4885CHRM2 4703/4885
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF KHK, GCK, HK1 GRIN2D 2783/4885GRIN3B 2756/4885CHRM2 4541/4885
US-20150087628-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GRIN2D 4750/4885GRIN3B 4131/4885CHRM2 4703/4885
US-11787766-B2 Compound having PD-L1 inhibitory activity, preparation method therefor and use thereof CD274, PDCD1, PDCD1LG2 GRIN2D 4262/4885GRIN3B 2810/4885CHRM2 4656/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS GRIN2D 999/4885GRIN3B 1856/4885CHRM2 4569/4885

“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.