SCHEMBL5436686

SCHEMBL5436686

O=C(c1ccccc1)N1CCC2(CCNCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRD O14764 2/20 0.73
GABRA1 P14867 2/20 0.73
GABRB1 P18505 2/20 0.73
GABRA5 P31644 2/20 0.73
GABRA3 P34903 2/20 0.73
GABRA2 P47869 2/20 0.73
GABRB2 P47870 2/20 0.73
GABRA4 P48169 2/20 0.73
SIGMAR1 Q99720 1/20 0.70
NAMPT P43490 1/20 0.63
CHRM2 P08172 1/20 0.62
CHRM3 P20309 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62

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
SCHEMBL6631346 0.91 L3MBTL3 (0.64) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL7170182 0.91 NAMPT (0.65) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL4229238 0.86 GABRD (0.71) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL14742135 0.85 NAMPT (0.66) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17888421 0.84 GABRD (1.00) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL5446400 0.83 CHRM2 (0.65) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL894920 0.83 SIGMAR1 (1.00) SIGMAR1
SCHEMBL28393 0.83 SIGMAR1 (1.00) SIGMAR1
SCHEMBL6634031 0.82 NAMPT (0.66) SIGMAR1NAMPTCYP1A2CYP2D6
SCHEMBL6634743 0.82 HSD17B10 (0.60) GABRDGABRA1GABRB1GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 GABRD 725/4885GABRA1 789/4885GABRB1 486/4885

“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.