SCHEMBL24966101

SCHEMBL24966101

C=CC#CC(C)(C)OC(=O)c1cc(F)nn1[C@H](C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.39
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL24966104 0.87 BRD4 (0.45) BRD4BRD2BRD3BRDTMAPK1
SCHEMBL24966699 0.84 BRD4 (0.46) BRD4BRD2BRD3BRDTMAPK1
SCHEMBL24966080 0.83 BRD4 (0.34) BRD4MAPK1FAAHCYP1A2CYP3A4
SCHEMBL24966712 0.83 BRD4 (0.32) BRD4MAPK1FAAH
SCHEMBL24966266 0.81 MAPK1 (0.32) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL22696760 0.78 MAPK1 (0.58) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL22755965 0.78 MAPK1 (0.58) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966854 0.77 HCRTR1 (0.32) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966185 0.77 NPBWR1 (0.35) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL22696994 0.77 MAPK1 (0.36) 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 2260/4885BRD2 3025/4885BRD3 2264/4885

“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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