SCHEMBL24966854

SCHEMBL24966854

C=CC#CC(C)(C)OC(=O)c1c(C(F)(F)F)cnn1[C@H](C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ CYP1A2 P05177 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ GABRA1 P14867 2/20 0.30
▸ GABRB2 P47870 2/20 0.30
▸ CYP11B1 P15538 2/20 0.30
▸ CYP11B2 P19099 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ABCB11 O95342 1/20 0.30
▸ GABRA2 P47869 1/20 0.30

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
SCHEMBL24966266 0.88 MAPK1 (0.32) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966185 0.86 NPBWR1 (0.35) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966712 0.80 BRD4 (0.32) MAPK1
SCHEMBL24966080 0.79 BRD4 (0.34) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966101 0.77 BRD4 (0.39) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL22696994 0.77 MAPK1 (0.36) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966264 0.76 BRD4 (0.34) MAPK1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL22696921 0.74 MAPK1 (0.36) MAPK1P2RX7CYP1A2CYP3A4GABRA1
SCHEMBL22696810 0.74 MEN1 (0.33) MAPK1
SCHEMBL24966049 0.74 GABRA1 (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 HCRTR1 609/4885HCRTR2 802/4885MAPK1 1577/4885

“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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