SCHEMBL5453053

SCHEMBL5453053

CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.47
CNR1 P21554 3/20 0.46
CNR2 P34972 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
KCNA5 P22460 2/20 0.41
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
HTR2A P28223 2/20 0.39
FSCN1 Q16658 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
GAA P10253 2/20 0.38

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
SCHEMBL14411422 0.98 CNR1 (0.45) PTPN7CNR1CNR2ROCK2ROCK1
SCHEMBL5446546 0.98 CNR1 (0.47) PTPN7CNR1CNR2ROCK2ROCK1
SCHEMBL5453825 0.95 CNR1 (0.45) PTPN7CNR1CNR2ROCK2ROCK1
SCHEMBL5453064 0.95 DRD3 (0.43) PTPN7CNR1CNR2ROCK2ROCK1
SCHEMBL5448003 0.91 CNR1 (0.43) PTPN7CNR1CNR2APEX1LIPG
SCHEMBL5462838 0.91 CNR1 (0.40) PTPN7CNR1CNR2ROCK2ROCK1
SCHEMBL5453673 0.91 CNR1 (0.44) CNR1CNR2APEX1HTR1ADRD2
SCHEMBL5452038 0.90 PTPN7 (0.57) PTPN7CNR2ROCK2ROCK1ALDH1A1
SCHEMBL5448813 0.90 CNR2 (0.48) PTPN7CNR1CNR2APEX1ALDH1A1
SCHEMBL5454687 0.89 CNR1 (0.49) CNR1CNR2APEX1ALDH1A1FSCN1

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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR PTPN7 592/4885CNR1 65/4885CNR2 106/4885

“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.