SCHEMBL27148103

SCHEMBL27148103

Cc1nc(NC(C)[C@H]2CCCN2C(=O)OC(C)(C)C)ncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.39
▸ CYP11B2 P19099 5/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ IDH1 O75874 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HCRTR1 O43613 5/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ HCRTR2 O43614 3/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30837959 1.00 CYP11B1 (0.39) CYP11B1CYP11B2NR1H2NR1H3IDH1
SCHEMBL27095185 1.00 CYP11B1 (0.39) CYP11B1CYP11B2NR1H2NR1H3IDH1
SCHEMBL27095194 0.83 IDH1 (0.39) CYP11B1CYP11B2IDH1
SCHEMBL27095265 0.83 IDH1 (0.39) CYP11B1CYP11B2IDH1
SCHEMBL30837966 0.81 TRPV1 (0.48) CYP11B1CYP11B2HCRTR1ALOX5APFEN1
SCHEMBL30838085 0.74 APP (0.45) LMNANPSR1HCRTR1ALOX5APFEN1
SCHEMBL30838068 0.74 MAPK1 (0.41) CYP11B1CYP11B2IDH1
SCHEMBL30838092 0.73 PRMT5 (0.40) HCRTR1ALOX5APFEN1HCRTR2
Formic Acid SCHEMBL30838062 0.68 IL1B (0.38) CYP11B1CYP11B2IDH1
SCHEMBL24288094 0.68 CYP11B2 (0.41) CYP11B1CYP11B2ALOX5APFEN1JAK3

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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — 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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 CYP11B1 1707/4885CYP11B2 2028/4885NR1H2 248/4885

“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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