SCHEMBL10197388

SCHEMBL10197388

CC(C)(C)[C@@H]1CCN(C(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL1708842 1.00 CYP2D6 (0.32) CYP2D6KCNH2HRH3
SCHEMBL10267353 1.00 CYP2D6 (0.32) CYP2D6KCNH2HRH3
SCHEMBL18327050 0.86
SCHEMBL2601347 0.86
SCHEMBL2614325 0.86
SCHEMBL2706991 0.84 CYP2D6 (0.38) CYP2D6KCNH2HRH3
SCHEMBL21969664 0.84
SCHEMBL17545823 0.84
SCHEMBL19788693 0.83
SCHEMBL23594101 0.81 CYP2D6 (0.31) CYP2D6KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227471-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
US-20210038749-A1 FAP INHIBITOR Universität Heidelberg (DE) 2021-02-11 US disclosed
US-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 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-20210038749-A1 FAP INHIBITOR FAP, APC, FIBP CYP2D6 3465/4885KCNH2 3314/4885HRH3 3752/4885
US-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof NRAS, AXL, ABL1 CYP2D6 1150/4885KCNH2 4702/4885HRH3 3702/4885
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS CYP2D6 4317/4885KCNH2 4765/4885HRH3 2927/4885
US-20230227471-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY BTK, CBL, XIAP CYP2D6 3589/4885KCNH2 4713/4885HRH3 3674/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME CYP2D6 3204/4885KCNH2 1801/4885HRH3 476/4885

“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.