SCHEMBL24967013

SCHEMBL24967013

C=CCOC(OC)(OC)C(=O)c1cccn1[C@H](C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ GABRA1 P14867 5/20 0.36
▸ GABRB2 P47870 4/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ OPRD1 P41143 2/20 0.32
▸ FAAH O00519 2/20 0.31
▸ MAPT P10636 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
SCHEMBL24966959 0.86 GABRA1 (0.44) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24966957 0.86 MAPK1 (0.45) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24966961 0.84 MAPK1 (0.39) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24967004 0.81 MAPK1 (0.37) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24966962 0.81 MAPK1 (0.41) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24967017 0.81 FAAH (0.36) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24967341 0.80 BRD4 (0.35) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24966964 0.80 GABRA1 (0.40) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24967420 0.79 MAPK1 (0.40) MAPK1GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL24966945 0.74 ALDH1A1 (0.47) MAPK1GABRA1GABRB2CYP1A2CYP3A4

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 MAPK1 1577/4885GABRA1 122/4885GABRB2 358/4885

“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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