SCHEMBL4827596

SCHEMBL4827596

CN1CCN(c2ccc(Cl)cc2-c2cc[c]o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HRH4 Q9H3N8 8/20 0.43
HTR3A P46098 5/20 0.43
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
KCNK2 O95069 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
DRD5 P21918 1/20 0.43

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
SCHEMBL4827829 0.89 POLB (0.48) POLBHRH4HTR3ADRD2DRD4
SCHEMBL14922275 0.72 POLB (0.71) POLBHRH4HTR3ADRD2DRD4
SCHEMBL790579 0.71 HPGD (0.41) HTR2BPDE4DMAPTKDM4EALDH1A1
SCHEMBL8275465 0.68 POLB (0.65) POLBHRH4HTR3ADRD2DRD4
SCHEMBL360379 0.68 POLB (1.00) POLBHRH4HTR3ADRD2ADRA2C
SCHEMBL6278390 0.68 AHR (0.42) POLBMAPTALDH1A1TDP1TP53
SCHEMBL1481336 0.67 POLB (0.58) POLBDRD2DRD1MAPTKDM4E
SCHEMBL2552885 0.67 POLB (0.58) POLBHRH4DRD2DRD4HTR6
SCHEMBL19403575 0.66 ALDH1A1 (0.67) POLBHTR1AMAPTALDH1A1TP53
SCHEMBL1484007 0.66 POLB (0.61) POLBHRH4HTR3ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 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 (2 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B POLB 3576/4885HRH4 217/4885HTR3A 1631/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B POLB 3576/4885HRH4 217/4885HTR3A 1631/4885

“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.