SCHEMBL5453825

SCHEMBL5453825

CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCCN(CCCOc4ccccc4)CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.45
PTPN7 P35236 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CNR2 P34972 2/20 0.42
APEX1 P27695 1/20 0.40
ESR1 P03372 2/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1B Q00975 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
MET P08581 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
FSCN1 Q16658 1/20 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) CNR1PTPN7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5446546 0.98 CNR1 (0.47) CNR1PTPN7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5453053 0.95 PTPN7 (0.47) CNR1PTPN7ALDH1A1KDM4ECNR2
SCHEMBL5462838 0.91 CNR1 (0.40) CNR1PTPN7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5454281 0.91 PTPN7 (0.53) PTPN7ALDH1A1KDM4ESMN1; SMN2CNR2
SCHEMBL14411440 0.90 CNR2 (0.47) CNR1PTPN7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5453064 0.90 DRD3 (0.43) CNR1PTPN7ALDH1A1KDM4ECNR2
SCHEMBL5446718 0.90 CNR1 (0.47) CNR1CNR2APEX1FSCN1
SCHEMBL5448003 0.90 CNR1 (0.43) CNR1PTPN7CNR2APEX1LIPG
SCHEMBL5451293 0.88 CNR2 (0.42) CNR1PTPN7ALDH1A1KDM4ESMN1; SMN2

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 CNR1 65/4885PTPN7 592/4885ALDH1A1 2963/4885

“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.