Sugi Predict

Sugi Predict / Compounds / SCHEMBL5366414

SCHEMBL5366414

SCHEMBL5366414

Cn1c(-c2cccs2)ccc1N1CCN2CCC1CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ NOS3 P29474 2/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL5346283 0.79 KDM4E (0.39) CHRM4CHRM5CHRM1CHRM3SMARCA2
SCHEMBL5347636 0.79 FYN (0.38) SMARCA2SMARCA4PBRM1MAPTCHRNA7
SCHEMBL5353555 0.72 CHRNA7 (0.36) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL5352583 0.71 CHRNA7 (0.42) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL5346288 0.71 PDE10A (0.38) CHRM4CHRM5CHRM1CHRM3MAPT
SCHEMBL5347643 0.71 PDE10A (0.41) SMARCA2SMARCA4PBRM1ALDH1A1MEN1
SCHEMBL9198888 0.71 KDM4E (0.46) MAPTLMNAALDH1A1L3MBTL1MEN1
SCHEMBL5358073 0.70 CHRNA7 (0.36) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL5353203 0.69 PRKDC (0.40) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL2900828 0.69 CHRNA7 (0.37) CHRM4CHRM5CHRM1CHRM3CHRM2

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 CHRM4 31/4885CHRM5 34/4885CHRM1 47/4885

“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.