SCHEMBL27010002

SCHEMBL27010002

CC(=O)CCCN(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.41
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 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
SCHEMBL26997800 0.91 PAOX (0.47) PAOXALDH1A1ACHE
SCHEMBL25793792 0.91 PAOX (0.47) PAOXALDH1A1ACHE
SCHEMBL23643550 0.86 ALDH1A1 (0.43) PAOXALDH1A1ACHETDP1LMNA
SCHEMBL9883738 0.82 LMNA (0.43) ALDH1A1TDP1LMNA
SCHEMBL26724551 0.81 ALDH1A1 (0.33) PAOXALDH1A1
SCHEMBL5508427 0.78 TDP1 (0.36) ALDH1A1TDP1CHRNB2CHRNB4CHRNA4
SCHEMBL23324950 0.78 CHRNB2 (0.38) ALDH1A1LMNACHRNB2CHRNB4CHRNA4
SCHEMBL20052681 0.77
SCHEMBL24811024 0.77 LMNA (0.39) LMNACHRNB2CHRNB4CHRNA4
SCHEMBL25792529 0.77 BCHE (0.40) ALDH1A1ACHECHRM1CHRNB2CHRNB4

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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 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 (4 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS PAOX 1955/4885ALDH1A1 4236/4885ACHE 849/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS PAOX 1955/4885ALDH1A1 4236/4885ACHE 849/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 PAOX 501/4885ALDH1A1 2267/4885ACHE 206/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN PAOX 2312/4885ALDH1A1 4035/4885ACHE 3300/4885

“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.