SCHEMBL545015

SCHEMBL545015

Oc1ccc(CN2CC3(COC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
MCHR1 Q99705 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
DRD4 P21917 2/20 0.39
CYP2D6 P10635 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL12665901 0.82 ALDH1A1 (0.47) KCNH2MCHR1HRH3CYP2D6TLR8
SCHEMBL20484955 0.82 HIF1A (0.44) KCNH2MCHR1HRH3CYP2D6TLR8
SCHEMBL545235 0.81 DBH (0.42) KCNH2DRD4CYP2D6
SCHEMBL114537 0.78 CYP2A13 (0.43) KCNH2L3MBTL1
SCHEMBL30206331 0.74 SMN1; SMN2 (0.40) KCNH2MCHR1HRH3TLR8TLR7
SCHEMBL14764263 0.72 TLR8 (0.39) KCNH2MCHR1HRH3CYP2D6TLR8
SCHEMBL5428090 0.72 DRD4 (0.63) HRH3DRD4ACHEBACE1
SCHEMBL4024799 0.72 HRH3 (0.71) HRH3DRD4
SCHEMBL545100 0.71 MCHR1 (0.50) KCNH2MCHR1HRH3CYP2D6
SCHEMBL30630159 0.71 KDM4E (0.55) KCNH2CYP2D6L3MBTL3L3MBTL1DRD3

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
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP claimed
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP disclosed
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
WO-2010125390-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 WO disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 US disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 US disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 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-20100280000-A1 THERAPEUTIC AGENTS 713 MC1R, MC2R, MC3R KCNH2 4562/4885MCHR1 4/4885HRH3 258/4885

“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.