SCHEMBL4030623

SCHEMBL4030623

O=C(c1ccc2[nH]ccc2c1)N1CCN2CCC1CC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
OXTR P30559 1/20 0.48
CCR3 P51677 1/20 0.48
MAPK14 Q16539 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRM2 P08172 1/20 0.45
GHSR Q92847 1/20 0.44
ACHE P22303 1/20 0.44
HTR4 Q13639 1/20 0.44
GPR183 P32249 1/20 0.44
LMNA P02545 1/20 0.44
MGLL Q99685 1/20 0.43

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
SCHEMBL4032535 0.95 HSD11B1 (0.53) HSD11B1CNR1CNR2OXTRCCR3
SCHEMBL5420834 0.93 HSD11B1 (0.50) HSD11B1CNR1CNR2OXTRCCR3
SCHEMBL1572985 0.80 CCNC (0.57) HSD11B1CHRNA7
SCHEMBL21851716 0.79 CHRNA3 (0.68) CHRNA7
SCHEMBL4028207 0.79 CHRNA3 (0.64) CHRNA7LMNA
SCHEMBL24026180 0.77 HSD11B1 (0.60) HSD11B1CNR1CNR2MAPK14GHSR
SCHEMBL3455562 0.76 L3MBTL3 (0.71) OXTRCCR3CHRM2
SCHEMBL4194621 0.76 CHRNA7 (0.57) CHRNA7
SCHEMBL1572879 0.75 HSD11B1 (0.53) HSD11B1CHRNA7
SCHEMBL3457089 0.74 MAPK14 (0.55) HSD11B1CNR1CNR2OXTRCCR3

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 9 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-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016616-A1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2004-02-26 WO claimed
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
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 HSD11B1 1637/4885CNR1 38/4885CNR2 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.