SCHEMBL3390816

SCHEMBL3390816

CN1C2CCC1CN(c1ccc(-c3ccco3)nn1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
BLM P54132 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CHRNA7 P36544 2/20 0.42
HTR3A P46098 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
MAPT P10636 1/20 0.41
SMARCA2 P51531 7/20 0.38
PBRM1 Q86U86 7/20 0.38
SMARCA4 P51532 5/20 0.38
NR1I2 O75469 2/20 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
SCHEMBL2677056 0.95 KDM4E (0.42) KDM4EMEN1ALDH1A1BLMKMT2A
SCHEMBL929656 0.83 CHRNA7 (0.63) KDM4EMEN1ALDH1A1BLMKMT2A
SCHEMBL928191 0.78 CHRNA7 (0.68) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3391442 0.76 CHRNA7 (0.45) ALDH1A1CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3389708 0.74 CHRNA7 (0.45) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3390872 0.74 CHRNA7 (0.45) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3390610 0.74 CNR2 (0.56) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3389766 0.74 NPC1 (0.64) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL1449402 0.73 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3390808 0.73 CHRNA7 (0.50) CHRNA7HTR3ACHRNB4CHRNA3MAPT

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 8 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-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP claimed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 WO 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
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP disclosed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 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-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use CHRNA6, CHRNA10, CHRNA2 KDM4E 2337/4885MEN1 4176/4885ALDH1A1 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.