SCHEMBL5453047

SCHEMBL5453047

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 3/20 0.41
KCNH2 Q12809 3/20 0.40
OPRK1 P41145 2/20 0.40
HTR3A P46098 6/20 0.39
HRH2 P25021 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
CFD P00746 2/20 0.36
CNR2 P34972 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 0.93 PRPS1 (0.43) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL5459672 0.91 KCNH2 (0.42) PRPS1KCNH2OPRK1HTR3AHRH2
SCHEMBL5449148 0.90 KCNH2 (0.40) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL16316984 0.89 PRPS1 (0.40) PRPS1HRH2SMN1; SMN2KMT2ACFD
SCHEMBL5444195 0.88 KCNH2 (0.39) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL5481603 0.86 HRH2 (0.46) PRPS1HRH2SMN1; SMN2KMT2AALDH1A1
SCHEMBL5454392 0.85 PRPS1 (0.42) PRPS1KCNH2OPRK1HTR3ASMN1; SMN2
SCHEMBL14410949 0.84 HTR3A (0.52) KCNH2HTR3ASMN1; SMN2KMT2ACFD
SCHEMBL5453559 0.83 ALDH1A1 (0.50) PRPS1KCNH2OPRK1HTR3AKMT2A
SCHEMBL14411890 0.82 PRPS1 (0.43) PRPS1HTR3AHRH2SMN1; SMN2KMT2A

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.