SCHEMBL3351077

SCHEMBL3351077

Nc1ccc2c(c1)CN1CCC[C@H]1CO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.44
CHRNA3 P32297 4/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32

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
Hydrochloric Acid SCHEMBL7516497 0.94 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4LMNA
SCHEMBL807163 0.80 MTNR1A (0.43) NPC1
SCHEMBL806673 0.80 MTNR1A (0.43) NPC1
SCHEMBL14024215 0.77 HCRTR2 (0.36)
SCHEMBL14023259 0.77 HCRTR2 (0.36)
Hydrochloric Acid SCHEMBL7510749 0.76 BRD4 (0.38) GAAMAPTBRD4ATAD2
Hydrochloric Acid SCHEMBL7515873 0.73 CHRNB4 (0.45) CHRNB4CHRNA3LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL7510856 0.72 ALDH1A1 (0.38) GAAMAPTBRD4ATAD2
SCHEMBL13681594 0.71 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4NPC1
SCHEMBL2789738 0.71 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-04-29 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 (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-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease HTR6, HTR3B, HTR5A CHRNB4 141/4885CHRNA3 147/4885CHRNB2 260/4885

“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.