SCHEMBL22696652

SCHEMBL22696652

CC#CCOC(=O)c1cncn1[C@H](C)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.72
▸ GABRB2 P47870 6/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ CYP11B1 P15538 2/20 0.72
▸ CYP11B2 P19099 2/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ ABCB11 O95342 1/20 0.72
▸ GABRA2 P47869 1/20 0.72
▸ MAPK1 P28482 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GPBAR1 Q8TDU6 4/20 0.48
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41

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
SCHEMBL22756022 1.00 GABRA1 (0.72) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL24966253 0.89 GABRA1 (0.60) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL24966922 0.84 ALDH1A1 (0.58) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Etomidate SCHEMBL39487 0.84 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL24183944 0.84 GABRA1 (0.81) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL39485 0.84 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
S-Etomidate SCHEMBL39486 0.84 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL1817757 0.84 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696879 0.83 GABRA1 (0.79) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL21238203 0.83 GABRA1 (0.79) GABRA1GABRB2CYP1A2CYP3A4CYP11B1

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-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-11-26 — — 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-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF SLC6A13, SLC6A11, SLC6A1 GABRA1 64/4885GABRB2 118/4885CYP1A2 27/4885

“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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