SCHEMBL5354327

SCHEMBL5354327

c1csc(-c2ccc(N3CCN4CCC3CC4)nn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KLF5 Q13887 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
CCR5 P51681 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
NR2E3 Q9Y5X4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PPARG P37231 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 2/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 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
SCHEMBL5356264 0.81 SCD (0.37) NPC1RAB9AKLF5MEN1KMT2A
SCHEMBL5351784 0.78 IL4I1 (0.44) NPC1RAB9AKLF5CHRNA7HTR3A
SCHEMBL7512345 0.78 CHRNA7 (0.52) CHRNA7HTR3ASCD
SCHEMBL5358143 0.76 CHRNA7 (0.39) NPC1RAB9AKLF5SMARCA2SMARCA4
SCHEMBL5356291 0.76 CHRNA7 (0.36) CHRNA7HTR3ASCD
SCHEMBL5351339 0.76 SCD (0.38) CHRNA7HTR3ASCD
SCHEMBL5351590 0.75 RAB9A (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5359975 0.75 SMARCA2 (0.40) NPC1RAB9AKLF5MEN1KMT2A
SCHEMBL5353727 0.74 SMARCA2 (0.40) NPC1RAB9AKLF5SMARCA2SMARCA4
SCHEMBL5112373 0.74 CHRNA7 (0.48) CHRNA7HTR3ASCD

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 NPC1 1795/4885RAB9A 2376/4885KLF5 3807/4885

“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.