SCHEMBL12804151

SCHEMBL12804151

Cc1cc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)on1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 11/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CHRNA7 P36544 1/20 0.46
LMNA P02545 2/20 0.45
KLKB1 P03952 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
PABPC1 P11940 1/20 0.42

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
SCHEMBL12804248 0.81 POLB (0.51) POLBUSP2MAPTNPC1RAB9A
SCHEMBL12804249 0.80 MAPT (0.66) POLBUSP2MAPTNPC1RAB9A
SCHEMBL12803462 0.78 POLB (0.55) POLBUSP2MAPTNPC1RAB9A
SCHEMBL12803655 0.76 MAPT (0.58) POLBUSP2MAPTNPC1RAB9A
SCHEMBL12803451 0.76 MAPT (0.49) POLBUSP2MAPTNPC1RAB9A
SCHEMBL12804283 0.76 MAPT (0.49) POLBUSP2MAPTNPC1RAB9A
SCHEMBL12804240 0.74 POLB (0.48) POLBUSP2MAPTNPC1RAB9A
SCHEMBL12803355 0.74 MAPT (0.47) POLBUSP2MAPTNPC1RAB9A
SCHEMBL12352516 0.71 MAPT (0.47) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15222850 0.70 CHRM4 (0.68)

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 7 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 claimed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO claimed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO 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
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 POLB 3799/4885USP2 3655/4885MAPT 734/4885

“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.