SCHEMBL1111541

SCHEMBL1111541

CC1CCN(c2cnc(C(=O)NCc3ccc4[nH]c(C(F)(F)F)cc4c3)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KLKB1 P03952 4/20 0.41
METAP2 P50579 1/20 0.41
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 5/20 0.40
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12900658 0.86 SMN1; SMN2 (0.43) KLKB1METAP2CHRNA7ALDH1A1MAPT
SCHEMBL1111565 0.81 KLKB1 (0.46) KLKB1METAP2CHRNA7ALDH1A1MAPT
SCHEMBL1111550 0.81 ALDH1A1 (0.44) KLKB1CHRNA7ALDH1A1MAPTSMN1; SMN2
SCHEMBL1111625 0.80 ALDH1A1 (0.44) KLKB1METAP2CHRNA7ALDH1A1MAPT
SCHEMBL12958860 0.77 ALDH1A1 (0.48) KLKB1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL12900635 0.74 ALDH1A1 (0.49) KLKB1CHRNA7ALDH1A1MAPTSMN1; SMN2
SCHEMBL12804153 0.74 SMN1; SMN2 (0.57) KLKB1METAP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8000039 0.74 POLB (0.46) KLKB1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL8002663 0.73 ALDH1A1 (0.45) KLKB1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL1271523 0.73 CHRNA7 (0.36) KLKB1METAP2CHRNA7ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279183-B1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 PROXIMAGEN LTD (GB) 2012-08-08 EP claimed
CN-102066356-A Indoles as modulators of nicoticic acetylcholine receptor subtype alpha-7 GLAXO GROUP LTD 2011-05-18 CN 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
CN-102066356-B Indoles as modulators of nicoticic acetylcholine receptor subtype alpha-7 GLAXO GROUP LTD 2014-06-11 CN disclosed
EP-2279183-B1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 PROXIMAGEN LTD (GB) 2012-08-08 EP disclosed
CN-102066356-A Indoles as modulators of nicoticic acetylcholine receptor subtype alpha-7 GLAXO GROUP LTD 2011-05-18 CN 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

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 CHRM2 24/4885CHRM1 20/4885CHRM3 23/4885

“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.