SCHEMBL4026644

SCHEMBL4026644

COc1ccccc1C(=O)/C=C/N1CCN2CCC1CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.49
ABCB1 P08183 1/20 0.46
GPR52 Q9Y2T5 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MRGPRX1 Q96LB2 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTT P42858 2/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4029015 0.84 CHRNA7 (0.41) GPR52HTTALDH1A1MAPT
SCHEMBL372771 0.78 CHRNA7 (0.43) MAOBNPC1ALDH1A1LMNAMAPT
SCHEMBL2829096 0.77 ALDH1A1 (0.51) ABCG2GPR52KDM4EMRGPRX1HTT
SCHEMBL5635879 0.77 GPR52 (0.39) GPR52HTTALDH1A1LMNAMAPT
SCHEMBL31167606 0.73 ABCG2 (0.77) ABCG2ABCB1GPR52HTTMAOB
SCHEMBL4032717 0.71 GAA (0.48) GPR52KDM4ENPC1ALDH1A1LMNA
SCHEMBL4027623 0.71 HPGD (0.60) KDM4EMAOBNPC1ALDH1A1LMNA
SCHEMBL2911803 0.70 CHRNA7 (0.61) NPC1TP53MAPTMAPK1RAB9A
SCHEMBL2831500 0.70 KDM4E (0.50) KDM4EHTTNPC1ALDH1A1LMNA
SCHEMBL4095632 0.70 KMT2A (0.53) NPC1ALDH1A1LMNATP53MAPT

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
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

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 ABCG2 304/4885ABCB1 803/4885GPR52 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.