SCHEMBL928649

SCHEMBL928649

O=C(OCc1ccccc1)N1CC2NCC[C@H]21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.50
AGTR2 P50052 5/20 0.48
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2C19 P33261 1/20 0.46
PREP P48147 2/20 0.46
GLA P06280 1/20 0.44

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
SCHEMBL34474706 0.88 SMN1; SMN2 (0.50) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1934000 0.88 SMN1; SMN2 (0.50) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13192046 0.86 HTR2C (0.56) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL10169571 0.86 PREP (0.54) SMN1; SMN2NPC1RAB9APREP
SCHEMBL1190472 0.82 PREP (0.49) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL18428254 0.81 PREP (0.48) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL2115752 0.81 HTR2C (0.47) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL2622088 0.81 HTR2C (0.47) HTR2CAGTR2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL31318026 0.81 AGTR2 (0.44) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL30587258 0.80 HTR2C (0.51) HTR2CAGTR2PSEN1PSEN2APH1B

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-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 HTR2C 106/4885AGTR2 246/4885PSEN1 939/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 HTR2C 37/4885AGTR2 243/4885PSEN1 66/4885

“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.