SCHEMBL3390644

SCHEMBL3390644

CC(=O)Nc1ccccc1-c1ccc(N2CC3CCC(C2)N3C)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
CHRNA7 P36544 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR3A P46098 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAP4K1 Q92918 1/20 0.39
PIK3CA P42336 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CNR2 P34972 1/20 0.36
ACACB O00763 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3390954 0.78 TP53 (0.56) TP53MAPTNPC1RAB9A
SCHEMBL3390872 0.77 CHRNA7 (0.45) CHRNA7HTR3ACHRNB4CHRNA3CNR2
SCHEMBL3389708 0.77 CHRNA7 (0.45) CHRNA7HTR3ACHRNB4CHRNA3CNR2
SCHEMBL3390610 0.77 CNR2 (0.56) CHRNA7HTR3ACHRNB4CHRNA3CNR2
SCHEMBL3391068 0.75 CNR2 (0.60) CHRNA7ALDH1A1HTR3ACHRNB4CHRNA3
SCHEMBL928191 0.74 CHRNA7 (0.68) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2678055 0.73 IL4I1 (0.46) CHRNA7HTR3ACHRNB4CHRNA3CNR2
SCHEMBL2677508 0.71 CNR2 (0.58) CHRNA7ALDH1A1HTR3ACHRNB4CHRNA3
SCHEMBL1022170 0.70 KDM4E (0.47) ALDH1A1TP53MAPTACACBKDM4E
SCHEMBL2676639 0.70 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3

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-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP claimed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US claimed
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP disclosed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 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-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use CHRNA6, CHRNA10, CHRNA2 MAOA 196/4885CHRNA7 6/4885ALDH1A1 824/4885

“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.