SCHEMBL5518844

SCHEMBL5518844

CC(C)C(C)(C)C(=O)N1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1A P08908 1/20 0.42
CHRM1 P11229 3/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CHRM3 P20309 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.35
HSD11B1 P28845 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
SCHEMBL16708787 0.91 HRH3 (0.39) CYP1A2TDP1ALDH1A1HTT
SCHEMBL5520141 0.83 PIK3CD (0.47) CYP1A2TDP1HPGDKDM4EALDH1A1
SCHEMBL16708790 0.83 RIPK1 (0.38) CYP1A2HPGDCYP2C19ALDH1A1NPC1
SCHEMBL25443823 0.82 HRH3 (0.51) CHRM1SIGMAR1
SCHEMBL5519580 0.82 CHRNB2 (0.37) ALDH1A1HTT
SCHEMBL18907823 0.81 ALDH1A1 (0.41) CYP1A2TDP1HPGDCYP2C19ALDH1A1
SCHEMBL14013018 0.80 CYP1A2 (0.52) CYP1A2TDP1HTR1ACHRM1CHRM4
SCHEMBL5512358 0.80 ALDH1A1 (0.46) CHRM1HPGDALOX15CYP2C19HSD17B10
SCHEMBL5518585 0.79 USP2 (0.53) HPGDALDH1A1NPC1HTT
SCHEMBL188325 0.78 CYP1A2 (0.54) CYP1A2TDP1HTR1ACHRM1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230060334-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2023-03-02 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 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 (1 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-20230060334-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 BRD9, BRD1, BRWD1 CYP1A2 4626/4885TDP1 2369/4885HTR1A 4449/4885

“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.