SCHEMBL7944479

SCHEMBL7944479

O=C1NCc2ccc(OCC3CC3)c(F)c21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.46
HTR2A P28223 13/20 0.46
SLC6A4 P31645 13/20 0.46
HTR1A P08908 11/20 0.46
PARP15 Q460N3 3/20 0.37
PARP10 Q53GL7 3/20 0.37
BUB1 O43683 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL4726294 0.79 DRD2 (0.54) DRD2HTR2ASLC6A4HTR1A
SCHEMBL4729622 0.78 DRD2 (0.57) DRD2HTR2ASLC6A4HTR1A
SCHEMBL26770363 0.75 HTR2C (0.47) HTR2APARP15PARP10
SCHEMBL31158741 0.74 HTR2A (0.42) DRD2HTR2ASLC6A4HTR1A
SCHEMBL26770373 0.73 HTR2C (0.44) HTR2ASLC6A4PARP15PARP10
SCHEMBL26770383 0.73 HTR2A (0.44) HTR2ASLC6A4PARP15PARP10
SCHEMBL29875305 0.71 AURKA (0.40) DRD2HTR2ASLC6A4HTR1A
SCHEMBL24170303 0.70 HTR2C (0.44) HTR2APARP15PARP10
SCHEMBL16501544 0.70 SLC6A4 (0.47) HTR2ASLC6A4PARP15PARP10
SCHEMBL12240957 0.67 CLK4 (0.43) DRD2HTR2ASLC6A4HTR1A

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 4803/4885HTR2A 4604/4885SLC6A4 2337/4885

“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.