SCHEMBL24966869

SCHEMBL24966869

CC(C)OC(=O)c1c(Cl)nnn1[C@H](C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BRD4 O60885 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
FAAH O00519 1/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36

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
SCHEMBL24966734 0.85 PDCD1 (0.40) PDCD1CD274HTTMEN1KMT2A
SCHEMBL24966901 0.85 ALDH1A1 (0.42) HTTMEN1KMT2ABRD4MAPK1
SCHEMBL24966914 0.85 CYP1A2 (0.50) MAPK1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL24966818 0.85 CRHBP (0.36) KMT2ABRD4MAPK1ALDH1A1LMNA
SCHEMBL24966768 0.84 PDCD1 (0.39) PDCD1CD274HTTMEN1KMT2A
SCHEMBL24966243 0.83 BRD4 (0.40) MEN1KMT2ABRD4MAPK1ALDH1A1
SCHEMBL24966821 0.83 CYP3A4 (0.42) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL24966873 0.83 CYP1A2 (0.35) MEN1KMT2ABRD4MAPK1ALDH1A1
SCHEMBL24966280 0.83 CHRM2 (0.41) HTTMEN1KMT2ABRD4ALDH1A1
SCHEMBL24966283 0.83 LMNA (0.47) MEN1KMT2ABRD4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2023-01-26 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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CYP21A2, CYP11B1, CYP11B2 PDCD1 4331/4885CD274 4705/4885HTT 3233/4885

“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.