SCHEMBL4029015

SCHEMBL4029015

Cc1ccccc1C(=O)/C=C/N1CCN2CCC1CC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.41
HTR3A P46098 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
POLB P06746 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.38
CHRNA3 P32297 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
SCHEMBL5635879 0.92 GPR52 (0.39) CHRNA7GPR52POLBALDH1A1KMT2A
SCHEMBL4026644 0.84 ABCG2 (0.49) GPR52ALDH1A1HTTMAPT
SCHEMBL372771 0.81 CHRNA7 (0.43) CHRNA7HTR3APOLBALDH1A1KMT2A
SCHEMBL4032717 0.74 GAA (0.48) GPR52ALDH1A1KMT2AALOX15MAPT
SCHEMBL4029529 0.74 GAA (0.48) GPR52ALDH1A1KMT2AALOX15MAPT
SCHEMBL4033241 0.74 CHRNA7 (0.58) CHRNA7GPR52POLBALDH1A1KMT2A
SCHEMBL4027794 0.74 CHRNA7 (0.58) CHRNA7GPR52POLBALDH1A1KMT2A
SCHEMBL4030335 0.71 GPR52 (0.39) CHRNA7HTR3AGPR52POLBALDH1A1
SCHEMBL4031687 0.71 MAPT (0.43) CHRNA7HTR3AGPR52ALDH1A1KMT2A
SCHEMBL11528932 0.71 GPR52 (0.61) GPR52ALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP claimed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US claimed
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1539764-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016616-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2004-02-26 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-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists CHRNA7, CHRNB1, CHRNA1 CHRNA7 1/4885HTR3A 202/4885GPR52 175/4885

“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.