SCHEMBL1761736

SCHEMBL1761736

O=C(NC1C2CC3CC1CN(C3)C2)C1=Cc2cc(Cl)ccc2OC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
HTT P42858 2/20 0.55
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 2/20 0.48
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ADRA2A P08913 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
Trifluoroacetic Acid SCHEMBL1761578 0.93 MAPT (0.51) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL1761622 0.74 ADRA2A (0.57) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL3277849 0.74 MEN1 (0.68) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL30955883 0.73 MEN1 (0.71) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL1761719 0.73 CHRNA7 (0.58) MEN1KMT2AALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL1761403 0.72 CHRNA7 (0.56) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL1761531 0.72 CHRNA7 (0.52) MAPTKDM4ELMNATP53NPC1
SCHEMBL1761660 0.72 GRM5 (0.53) MEN1KMT2ANPC1RAB9AADRA2A
SCHEMBL26402084 0.71 MEN1 (0.64) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL29540348 0.71 MEN1 (0.64) MAPTMEN1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2011-05-19 US claimed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 US claimed
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-7897766-B2 [3H]-(S,S)-2,2-dimethyl-5-(6-phenyl-pyridazin-3-yl)-5-aza-2-azonia-bicyclo[2.2.1]heptane, iodide; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, mild cognitive impairment, age-associated memory impairment ABBOTT LABORATORIES (US) 2011-03-01 US disclosed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 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 (2 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-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 MAPT 2851/4885MEN1 2888/4885KMT2A 1996/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 MAPT 2851/4885MEN1 2888/4885KMT2A 1996/4885

“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.