SCHEMBL22696808

SCHEMBL22696808

CCC(CC)OC(=O)c1c(Cl)nc(Cl)n1[C@H](C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB11 O95342 1/20 0.39
GABRA2 P47869 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.36
KLK7 P49862 2/20 0.36
MAPK1 P28482 1/20 0.35
CTSK P43235 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL22697006 0.92 MEN1 (0.38) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL24283687 0.87 MAPK1 (0.46) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL21298740 0.87 MAPK1 (0.46) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL24283624 0.86 CYP1A2 (0.50) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL21298739 0.86 CYP1A2 (0.50) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL22696874 0.83 KMT2A (0.37) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL22696878 0.82 MEN1 (0.36) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL24283657 0.82 MEN1 (0.44) LMNAMEN1KMT2AMAPK1
SCHEMBL28358501 0.82 MEN1 (0.44) LMNAMEN1KMT2AMAPK1
SCHEMBL22697005 0.81 MEN1 (0.39) CYP1A2CYP3A4GABRA1GABRB2CYP11B1

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 CYP1A2 27/4885CYP3A4 11/4885GABRA1 64/4885

“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.