SCHEMBL10028951

SCHEMBL10028951

C=C1CN2CCCCC2=N1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.49
USP2 O75604 2/20 0.42
INMT O95050 1/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7869238 0.74 ACHE (0.49) ACHEUSP2INMTBCHEMEN1
SCHEMBL15805617 0.72 ACHE (0.50) ACHEUSP2INMTBCHEMEN1
SCHEMBL16317909 0.72 ACHE (0.50) ACHEUSP2INMTBCHEMEN1
SCHEMBL15805653 0.72 ACHE (0.50) ACHEUSP2INMTBCHEMEN1
SCHEMBL8196022 0.67
SCHEMBL9216918 0.66 ACHE (0.41) ACHEUSP2INMTBCHEMEN1
SCHEMBL9540233 0.65 ACHE (1.00) ACHEUSP2BCHEMEN1ALDH1A1
SCHEMBL809425 0.64 INMT (0.41) ACHEUSP2INMTBCHEMEN1
SCHEMBL8969228 0.64 ACHE (0.48) ACHEUSP2INMTBCHEMEN1
SCHEMBL8969889 0.64 ACHE (0.62) ACHEUSP2BCHEMEN1ALDH1A1

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-9089561-B2 Methods for treating depression, neurodegeneration, inhibiting amyloid β deposition, delaying senescence, and extending life spans with heterocyclic compounds ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-07-28 US disclosed
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2014-06-19 US disclosed
US-20120083486-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-05 US disclosed
US-20110059998-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKI KAISHA 2011-03-10 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 (3 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-20110059998-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT KIT, CHAT, BDNF ACHE 4/4885USP2 3439/4885INMT 1261/4885
US-20120083486-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT KIT, CHAT, BDNF ACHE 4/4885USP2 3439/4885INMT 1261/4885
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS PSEN1, GAP43, PSEN2 ACHE 16/4885USP2 2378/4885INMT 1296/4885

“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.