SCHEMBL23234014

SCHEMBL23234014

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.46
▸ FAAH O00519 5/20 0.40
▸ PDE2A O00408 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GABRB2 P47870 1/20 0.34

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
SCHEMBL24967302 0.91 BRD4 (0.44) BRD4FAAHPDE2AMAPK1BRD2
SCHEMBL24967296 0.89 BRD4 (0.40) BRD4FAAHPDE2AMAPK1BRD2
SCHEMBL24966149 0.87 BRD4 (0.39) BRD4FAAHPDE2AMAPK1BRD2
SCHEMBL24966150 0.87 BRD4 (0.44) BRD4FAAHPDE2AMAPK1BRD2
SCHEMBL24966158 0.83 BRD4 (0.53) BRD4FAAHMAPK1BRD2BRD3
SCHEMBL24966204 0.81 BRD4 (0.52) BRD4FAAHMAPK1BRD2BRD3
SCHEMBL24967300 0.81 BRD4 (0.47) BRD4FAAHPDE2AMAPK1BRD2
SCHEMBL24966699 0.80 BRD4 (0.46) BRD4FAAHPDE2AMAPK1BRD2
SCHEMBL24966203 0.80 BRD4 (0.42) BRD4FAAHMAPK1BRD2BRD3
SCHEMBL24966157 0.79 BRD4 (0.45) BRD4FAAHMAPK1BRD2BRD3

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 2 patents. 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
WO-2021068943-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF 成都麻沸散医药科技有限公司 2021-04-15 — — 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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CYP21A2, CYP11B1, CYP11B2 BRD4 2260/4885FAAH 291/4885PDE2A 954/4885

“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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