SCHEMBL12804394

SCHEMBL12804394

O=C(O)c1cnn(CCF)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
ALKBH2 Q6NS38 2/20 0.43
HPGDS O60760 1/20 0.43
ACHE P22303 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGLN1 Q9GZT9 11/20 0.38
PLA2G4A P47712 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALKBH1 Q13686 1/20 0.36

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
SCHEMBL5732657 0.85 L3MBTL1 (0.69) L3MBTL1ALKBH2HPGDSACHECYP4F2
SCHEMBL4022892 0.85 L3MBTL1 (0.62) L3MBTL1ALKBH2HPGDSACHECYP4F2
SCHEMBL30636822 0.84 L3MBTL1 (0.49) L3MBTL1ACHE
SCHEMBL18038382 0.83 L3MBTL1 (0.71) L3MBTL1ALKBH2HPGDSACHECYP4F2
SCHEMBL4240582 0.81 L3MBTL1 (1.00) L3MBTL1ALKBH2HPGDSACHECYP4F2
SCHEMBL27716505 0.81 L3MBTL1 (0.69) L3MBTL1ALKBH2HPGDSACHECYP4F2
SCHEMBL30173684 0.81 L3MBTL1 (0.63) L3MBTL1ALKBH2HPGDSACHECYP4F2
SCHEMBL31681673 0.80 L3MBTL1 (0.67) L3MBTL1ALKBH2HPGDSACHECYP4F2
SCHEMBL30535495 0.80 L3MBTL1 (0.67) L3MBTL1ALKBH2HPGDSACHECYP4F2
SCHEMBL24828550 0.80 L3MBTL1 (0.49) L3MBTL1ACHEPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 L3MBTL1 3420/4885ALKBH2 4177/4885HPGDS 3088/4885

“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.