SCHEMBL5453781

SCHEMBL5453781

CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCCl)c12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
CNR2 P34972 2/20 0.51
APEX1 P27695 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
FSCN1 Q16658 1/20 0.42
PDE10A Q9Y233 3/20 0.42
TSHR P16473 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL14463956 0.91 CNR1 (0.47) CNR1CNR2APEX1KMT2AMEN1
SCHEMBL5457838 0.87 LMNA (0.55) CNR1CNR2KMT2AHPGDPDE10A
SCHEMBL5462996 0.87 APEX1 (0.52) CNR1CNR2APEX1HPGDPDE10A
SCHEMBL5454687 0.84 CNR1 (0.49) CNR1CNR2APEX1KMT2AMEN1
SCHEMBL5452661 0.84 CNR1 (0.46) CNR1CNR2APEX1KMT2AMEN1
SCHEMBL5446546 0.84 CNR1 (0.47) CNR1CNR2APEX1ALDH1A1HPGD
SCHEMBL5453053 0.83 PTPN7 (0.47) CNR1CNR2APEX1ALDH1A1FSCN1
SCHEMBL5453064 0.83 DRD3 (0.43) CNR1CNR2APEX1KMT2AMEN1
SCHEMBL5446718 0.82 CNR1 (0.47) CNR1CNR2APEX1FSCN1LMNA
SCHEMBL5451250 0.82 CNR1 (0.43) CNR1CNR2APEX1KMT2AMEN1

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 65/4885CNR2 106/4885APEX1 3945/4885

“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.