SCHEMBL24967340

SCHEMBL24967340

CC#CCOC(OC)(OC)C(=O)c1cnnn1[C@H](C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ ADAM17 P78536 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP13 P45452 1/20 0.31

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
SCHEMBL24966830 0.86 CYP1A2 (0.41) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24966203 0.86 BRD4 (0.42) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24966149 0.85 BRD4 (0.39) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24966902 0.84 FAAH (0.35) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24966832 0.84 BRD4 (0.37) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24967341 0.82 BRD4 (0.35) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24967327 0.82 ADAM17 (0.32) ADAM17FAAHMMP1MMP9MMP13
SCHEMBL24966826 0.82 BRD4 (0.39) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24966864 0.80 GABRA1 (0.44) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24967004 0.80 MAPK1 (0.37) MAPK1CYP1A2CYP3A4GABRA1GABRB2

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 BRD4 2260/4885MAPK1 1577/4885CYP1A2 42/4885

“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.

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