SCHEMBL1111648

SCHEMBL1111648

CCOc1cccc(-c2ccc(C(=O)NCc3ccc4[nH]c(C(F)(F)F)cc4c3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ROCK1 Q13464 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
HPGDS O60760 4/20 0.44
CHRM3 P20309 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
KLKB1 P03952 1/20 0.40
HTR2C P28335 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL1111620 0.91 ALDH1A1 (0.47) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL11981825 0.90 MAPT (0.37) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL1111622 0.89 GAA (0.41) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL1111666 0.87 HPGDS (0.59) HPGDSHTR2CMCHR1
SCHEMBL1111640 0.85 HPGDS (0.48) HPGDS
SCHEMBL7999504 0.80 DDR2 (0.45) ALDH1A1GAAMEN1KMT2AUSP2
SCHEMBL1111651 0.80 ALDH1A1 (0.49) ROCK2ROCK1ALDH1A1GAAMEN1
SCHEMBL12958860 0.80 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2AUSP2
SCHEMBL1111610 0.79 EPHX2 (0.49) ALDH1A1GAAMEN1KMT2AUSP2
SCHEMBL7987320 0.78 ITK (0.49) CYP3A4CYP2C9ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US claimed
EP-2279183-B1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 PROXIMAGEN LTD (GB) 2012-08-08 EP claimed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US claimed
EP-2279183-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 Glaxo Group Limited (GB) 2011-02-02 EP claimed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
EP-2279183-B1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 PROXIMAGEN LTD (GB) 2012-08-08 EP disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
EP-2279183-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 Glaxo Group Limited (GB) 2011-02-02 EP disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 WO disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 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-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 ROCK2 2320/4885CYP3A4 3388/4885CYP2D6 3120/4885

“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.