SCHEMBL23724067

SCHEMBL23724067

CC(C)(C)OC(=O)N1CCCN(c2ccc(OCCN3CCOCC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.53
TLR7 Q9NYK1 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
USP2 O75604 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
THRB P10828 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL21659284 0.86 MAPT (0.53) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL3583116 0.84 HRH3 (0.61) TLR9TLR7SMN1; SMN2GAAALDH1A1
SCHEMBL30121694 0.83 GAA (0.48) TLR9TLR7SMN1; SMN2GAAALDH1A1
SCHEMBL3579866 0.83 HRH3 (0.63) TLR9TLR7GAAALDH1A1KDM4E
SCHEMBL3332134 0.83 GPR119 (0.58) TLR9TLR7SMN1; SMN2ALDH1A1LMNA
SCHEMBL5233944 0.82 MAPT (0.56) SMN1; SMN2GAAALDH1A1KDM4ELMNA
SCHEMBL21659594 0.81 DRD3 (0.64) SMN1; SMN2GAAALDH1A1KDM4ELMNA
SCHEMBL4928318 0.81 MAPT (0.54) TLR9TLR7SMN1; SMN2ALDH1A1LMNA
SCHEMBL21659288 0.81 HRH3 (0.58) TLR9TLR7SMN1; SMN2ALDH1A1LMNA
SCHEMBL23742309 0.81 ALDH1A1 (0.59) SMN1; SMN2GAAALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246920-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2024-07-25 US disclosed
EP-4100400-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY Kings College London (GB) 2022-12-14 EP disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO 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-20240246920-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY RIF1, NAT1, POLR1C TLR9 4344/4885TLR7 2636/4885SMN1; SMN2 2806/4885

“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.