SCHEMBL7942822

SCHEMBL7942822

O=C1c2sccc2CCN1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
HTR1A P08908 3/20 0.42
HTR2A P28223 2/20 0.42
CHRM1 P11229 4/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
DRD1 P21728 3/20 0.35
DRD3 P35462 3/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ACHE P22303 2/20 0.32
CES1 P23141 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9850688 0.73 KDM4E (0.43) DRD2HTR1AHTR2AALDH1A1KDM4E
SCHEMBL10201451 0.71 DRD2 (0.36) DRD2HTR1AHTR2ACHRM1DRD1
SCHEMBL11435275 0.70 NOTUM (0.46) ALDH1A1KDM4EMAPT
SCHEMBL10201461 0.68 TNF (0.46) DRD2HTR1AHTR2A
SCHEMBL16880278 0.66 MAPT (0.41) DRD2DRD1DRD3DRD4ALDH1A1
SCHEMBL4310310 0.66 NOS3 (0.38) DRD2NOS3NOS2DRD3CES1
SCHEMBL15763737 0.65 NOS3 (0.52) DRD2HTR1ANOS3NOS2DRD1
SCHEMBL350515 0.65
SCHEMBL13201494 0.63 DRD2 (0.57) DRD2HTR2ADRD1DRD3DRD4
SCHEMBL631537 0.62 MAOA (0.42) HTR1AHTR2ACHRM1NOS3NOS2

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 DRD2 4803/4885HTR1A 4477/4885HTR2A 4604/4885

“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.