SCHEMBL5351606

SCHEMBL5351606

c1coc(-c2ccc(N3CCN4CCC3CC4)nn2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.43
PBRM1 Q86U86 9/20 0.43
SMARCA4 P51532 7/20 0.43
NR1I2 O75469 3/20 0.42
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
BLM P54132 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CHRNA7 P36544 4/20 0.39
HTR3A P46098 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
EIF4H Q15056 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5352859 0.81 CHRNA7 (0.36) CHRNA7HTR3A
SCHEMBL5355402 0.78 CHRNA7 (0.39) CHRNA7HTR3A
SCHEMBL7512345 0.78 CHRNA7 (0.52) CHRNA7HTR3A
SCHEMBL5358521 0.76 PBRM1 (0.43) PBRM1ALDH1A1CHRNA7HTR3A
SCHEMBL5351147 0.76 CHRNA7 (0.40) CHRNA7HTR3A
SCHEMBL5354327 0.74 NPC1 (0.57) SMARCA2PBRM1SMARCA4KDM4EALDH1A1
SCHEMBL1753745 0.74 CHRNA7 (0.61) KDM4EALDH1A1NPC1RAB9ACHRNA7
SCHEMBL5112373 0.74 CHRNA7 (0.48) CHRNA7HTR3A
SCHEMBL5347172 0.74 CHRNA7 (0.36) CHRNA7HTR3A
SCHEMBL5353576 0.73 SCD (0.43) KDM4EALDH1A1KMT2ACHRNA7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223753-B2 Diazabicyclic biaryl derivatives NEUROSEARCH A/S (DK) 2007-05-29 US claimed
EP-1562945-B1 1,4-DIAZABICYCLO(3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH AS (DK) 2006-11-15 EP claimed
EP-1562945-A1 1,4-DIAZABICYCLO(3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2005-08-17 EP claimed
US-20040127491-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2004-07-01 US claimed
WO-2004043960-A1 1,4-DIAZABICYCLO (3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2004-05-27 WO claimed
US-7223753-B2 Diazabicyclic biaryl derivatives NEUROSEARCH A/S (DK) 2007-05-29 US disclosed
EP-1562945-B1 1,4-DIAZABICYCLO(3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH AS (DK) 2006-11-15 EP disclosed
EP-1562945-A1 1,4-DIAZABICYCLO(3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2005-08-17 EP disclosed
US-20040127491-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2004-07-01 US disclosed
WO-2004043960-A1 1,4-DIAZABICYCLO (3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2004-05-27 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-20040127491-A1 Novel diazabicyclic biaryl derivatives CHRNA6, CHRNA3, CHRNA2 SMARCA2 2847/4885PBRM1 4440/4885SMARCA4 3185/4885

“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.