SCHEMBL5452598

SCHEMBL5452598

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 1/20 0.43
KCNH2 Q12809 3/20 0.42
OPRK1 P41145 2/20 0.42
HTR3A P46098 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
CFD P00746 2/20 0.38
CNR2 P34972 4/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL5459672 0.94 KCNH2 (0.42) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL5453047 0.93 PRPS1 (0.41) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL5449148 0.93 KCNH2 (0.40) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL5444195 0.91 KCNH2 (0.39) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL16316985 0.89 PRPS1 (0.42) PRPS1HTR3ASMN1; SMN2KMT2ACFD
SCHEMBL5452412 0.89 PRPS1 (0.42) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL5441869 0.88 PRPS1 (0.43) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL14410949 0.87 HTR3A (0.52) KCNH2HTR3ASMN1; SMN2KMT2ACFD
SCHEMBL5453559 0.86 ALDH1A1 (0.50) PRPS1KCNH2OPRK1HTR3AKMT2A
SCHEMBL14411870 0.85 PRPS1 (0.43) PRPS1HTR3ASMN1; SMN2CFDCNR2

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 PRPS1 4276/4885KCNH2 4294/4885OPRK1 250/4885

“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.