SCHEMBL3983437

SCHEMBL3983437

CC(c1nc2ccccc2[nH]1)N1CCN2CCC1CC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
IDO1 P14902 1/20 0.43
POLB P06746 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MLKL Q8NB16 3/20 0.42
TRPC3 Q13507 1/20 0.42
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.39
KLK7 P49862 1/20 0.39
ALOX12 P18054 1/20 0.39
ALPL P05186 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28722124 0.74 MAPT (0.52) LMNASMN1; SMN2ALDH1A1IDO1POLB
SCHEMBL4933877 0.72 BCHE (0.53) LMNASMN1; SMN2ALDH1A1IDO1POLB
SCHEMBL4704423 0.72 CHRNA7 (0.56) TRPC3CHRNA7HTR3ABCHEACHE
SCHEMBL4929684 0.71 MAPT (0.50) LMNASMN1; SMN2ALDH1A1IDO1POLB
SCHEMBL6244544 0.69 POLB (0.61) LMNASMN1; SMN2ALDH1A1IDO1POLB
SCHEMBL30665026 0.69 ALDH1A1 (0.66) LMNASMN1; SMN2ALDH1A1IDO1POLB
SCHEMBL2147079 0.69 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1IDO1POLBTAAR1
SCHEMBL85832 0.69 ALDH1A1 (0.66) LMNASMN1; SMN2ALDH1A1IDO1POLB
SCHEMBL24122730 0.68 POLB (0.51) LMNASMN1; SMN2ALDH1A1IDO1POLB
SCHEMBL1099367 0.67 ALDH1A1 (0.58) LMNASMN1; SMN2ALDH1A1IDO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 EP claimed
US-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination ASTRAZENECA AB (SE) 2007-02-22 US claimed
US-7482338-B2 Non-amide nonanes ASTRAZENECA AB (SE) 2009-01-27 US disclosed
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 EP disclosed
US-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination ASTRAZENECA AB (SE) 2007-02-22 US disclosed
EP-1673372-A1 NON-AMIDE NONANES AstraZeneca AB (SE) 2006-06-28 EP disclosed
WO-2005030777-A1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2005-04-07 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-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination CHRND, CHRNE, CHRM2 LMNA 1146/4885SMN1; SMN2 1358/4885ALDH1A1 752/4885

“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.