SCHEMBL5459672

SCHEMBL5459672

CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccccc2Cl)C3)c2c(C)cccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.42
OPRK1 P41145 5/20 0.42
NR2F2 P24468 1/20 0.40
HTR3A P46098 6/20 0.39
CNR2 P34972 1/20 0.39
PRPS1 P60891 1/20 0.38
OPRM1 P35372 3/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH2 P25021 1/20 0.37
CFD P00746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
OPRD1 P41143 1/20 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
SCHEMBL5452598 0.94 PRPS1 (0.43) KCNH2OPRK1HTR3ACNR2PRPS1
SCHEMBL5449148 0.91 KCNH2 (0.40) KCNH2OPRK1HTR3ACNR2PRPS1
SCHEMBL5453047 0.91 PRPS1 (0.41) KCNH2OPRK1HTR3ACNR2PRPS1
SCHEMBL16316945 0.89 NR2F2 (0.38) KCNH2OPRK1NR2F2CNR2PRPS1
SCHEMBL5444195 0.88 KCNH2 (0.39) KCNH2OPRK1HTR3ACNR2PRPS1
SCHEMBL5461390 0.87 CNR2 (0.39) KCNH2OPRK1HTR3ACNR2PRPS1
SCHEMBL5452685 0.86 HRH2 (0.45) NR2F2PRPS1KMT2ASMN1; SMN2HRH2
SCHEMBL5446551 0.85 HTR3A (0.39) KCNH2OPRK1NR2F2HTR3ACNR2
SCHEMBL14410949 0.84 HTR3A (0.52) KCNH2HTR3ACNR2KMT2ASMN1; SMN2
SCHEMBL5453559 0.84 ALDH1A1 (0.50) KCNH2OPRK1HTR3ACNR2PRPS1

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR KCNH2 4294/4885OPRK1 250/4885NR2F2 356/4885

“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.