SCHEMBL5452661

SCHEMBL5452661

CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCCl)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 4/20 0.46
APEX1 P27695 1/20 0.45
FSCN1 Q16658 2/20 0.43
PDE10A Q9Y233 5/20 0.43
WDR5 P61964 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5462996 0.90 APEX1 (0.52) CNR1CNR2APEX1PDE10ALMNA
SCHEMBL5452667 0.88 PDE10A (0.44) CNR2PDE10AALDH1A1HPGD
SCHEMBL5462928 0.86 CNR2 (0.44) CNR1CNR2APEX1FSCN1ALDH1A1
SCHEMBL5459780 0.85 CNR2 (0.46) CNR1CNR2APEX1FSCN1PDE10A
SCHEMBL5446369 0.85 PTPN7 (0.44) CNR1CNR2APEX1FSCN1ALDH1A1
SCHEMBL5450158 0.85 CNR2 (0.41) CNR1CNR2APEX1FSCN1PDE10A
SCHEMBL14463956 0.85 CNR1 (0.47) CNR1CNR2APEX1FSCN1PDE10A
SCHEMBL5454430 0.85 CNR2 (0.41) CNR1CNR2APEX1FSCN1PDE10A
SCHEMBL5440849 0.85 CNR2 (0.40) CNR1CNR2APEX1FSCN1PDE10A
SCHEMBL5453781 0.84 CNR1 (0.51) CNR1CNR2APEX1FSCN1PDE10A

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.