SCHEMBL5347643

SCHEMBL5347643

Cn1cc(-c2cccs2)nc1N1CCN2CCC1CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KLF5 Q13887 1/20 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
SCHEMBL5346288 0.78 PDE10A (0.38) PDE10AALDH1A1KDM4EMEN1KMT2A
SCHEMBL5347636 0.76 FYN (0.38) ALDH1A1MEN1KMT2ASMARCA2SMARCA4
SCHEMBL5354327 0.73 NPC1 (0.57) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL5359975 0.72 SMARCA2 (0.40) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL2900828 0.72 CHRNA7 (0.37) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5353727 0.72 SMARCA2 (0.40) ALDH1A1SMARCA2SMARCA4PBRM1NPC1
SCHEMBL5366414 0.71 CHRM4 (0.35) ALDH1A1KDM4EMEN1KMT2ASMARCA2
Hydrochloric Acid SCHEMBL2900298 0.71 CHRNA7 (0.39) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5346283 0.71 KDM4E (0.39) ALDH1A1KDM4EHSD17B10SMARCA2SMARCA4
SCHEMBL6192934 0.69 NPC1 (0.57) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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
US-20040127491-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2004-07-01 US 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
US-20040127491-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2004-07-01 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-20040127491-A1 Novel diazabicyclic biaryl derivatives CHRNA6, CHRNA3, CHRNA2 PDE10A 299/4885ALDH1A1 1023/4885KDM4E 2840/4885

“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.