SCHEMBL5449148

SCHEMBL5449148

CCc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
OPRK1 P41145 2/20 0.40
CFD P00746 3/20 0.39
HTR3A P46098 6/20 0.39
PRPS1 P60891 1/20 0.38
CNR2 P34972 6/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 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) KCNH2OPRK1CFDHTR3APRPS1
SCHEMBL5459672 0.91 KCNH2 (0.42) KCNH2OPRK1CFDHTR3APRPS1
SCHEMBL5453047 0.90 PRPS1 (0.41) KCNH2OPRK1CFDHTR3APRPS1
SCHEMBL16316943 0.89 CFD (0.37) CFDPRPS1CNR2KMT2ASMN1; SMN2
SCHEMBL5444195 0.88 KCNH2 (0.39) KCNH2OPRK1CFDHTR3APRPS1
SCHEMBL5449100 0.85 CNR2 (0.41) KCNH2OPRK1HTR3ACNR2KMT2A
SCHEMBL14410949 0.84 HTR3A (0.52) KCNH2CFDHTR3ACNR2KMT2A
SCHEMBL5453559 0.83 ALDH1A1 (0.50) KCNH2OPRK1HTR3APRPS1CNR2
SCHEMBL16316985 0.82 PRPS1 (0.42) CFDHTR3APRPS1CNR2KMT2A
SCHEMBL5452412 0.82 PRPS1 (0.42) KCNH2OPRK1CFDHTR3APRPS1

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 KCNH2 4294/4885OPRK1 250/4885CFD 3529/4885

“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.