SCHEMBL20927591

SCHEMBL20927591

CC(C)C#CCN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CHRM1 P11229 11/20 0.55
CHRM2 P08172 10/20 0.55
CHRM4 P08173 10/20 0.55
CHRM5 P08912 10/20 0.55
CHRM3 P20309 10/20 0.55
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL12793998 0.98 LMNA (0.56) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL22725674 0.95 LMNA (0.52) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL12376561 0.82 CHRM1 (0.40) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL2611016 0.82 NPSR1 (0.44) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL11457672 0.82 CHRM1 (0.56) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL23842148 0.80 CHRM1 (0.39) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL12794005 0.80 ALDH1A1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL23641952 0.80 LMNA (0.52) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL24428834 0.79 CHRM1 (0.38) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL24429015 0.79 NOS3 (0.43) LMNACHRM1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
EP-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
US-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER ATHOS THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER ATHOS THERAPEUTICS, INC. 2023-05-25 US disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
WO-2019079596-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. (US) 2019-04-25 WO disclosed
WO-2019079485-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF Epizyme, Inc. (US) 2019-04-25 WO disclosed
CN-1038410-C Butynelamine derivative NIPPON SHINYAKU CO LTD (JP) 1998-05-20 CN disclosed
CN-1041582-A BUTYNELAMINE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 1990-04-25 CN 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-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER SSB, HLA-DRB1, UACA LMNA 4658/4885CHRM1 4757/4885CHRM2 4616/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS LMNA 2568/4885CHRM1 4880/4885CHRM2 4872/4885

“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.