SCHEMBL5359975

SCHEMBL5359975

c1csc(-c2cc(N3CCN4CCC3CC4)sn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
CHRNA7 P36544 4/20 0.36
HTR3A P46098 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5358143 0.78 CHRNA7 (0.39) SMARCA2SMARCA4PBRM1CHRM2CHRM4
SCHEMBL5353727 0.76 SMARCA2 (0.40) SMARCA2SMARCA4PBRM1NPC1RAB9A
SCHEMBL5352583 0.76 CHRNA7 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5354327 0.75 NPC1 (0.57) SMARCA2SMARCA4PBRM1NPC1RAB9A
SCHEMBL5358073 0.74 CHRNA7 (0.36) SMARCA2SMARCA4PBRM1CHRM2CHRM4
SCHEMBL5347643 0.72 PDE10A (0.41) SMARCA2SMARCA4PBRM1NPC1RAB9A
SCHEMBL5351590 0.72 RAB9A (0.43) NPC1RAB9ACHRNA7HTR3AMEN1
SCHEMBL2900828 0.71 CHRNA7 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5358060 0.70 CHRNA7 (0.39) SMARCA2SMARCA4PBRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL2900298 0.70 CHRNA7 (0.39) CHRNA7HTR3AMEN1KMT2AALDH1A1

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-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 2847/4885SMARCA4 3185/4885PBRM1 4440/4885

“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.