SCHEMBL5454795

SCHEMBL5454795

CC(=O)c1cn(CCCN2CCCN(Cc3ccc(F)cc3)CC2)c2c(Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CCR5 P51681 1/20 0.45
CNR2 P34972 1/20 0.43
PRPS1 P60891 1/20 0.41
PCSK9 Q8NBP7 2/20 0.41
CNR1 P21554 1/20 0.41
KCNH2 Q12809 1/20 0.41
F2R P25116 1/20 0.40
CCR2 P41597 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
FSCN1 Q16658 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 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
SCHEMBL5446660 0.91 POLB (0.48) POLBCCR5CNR2PCSK9CNR1
SCHEMBL5444363 0.90 POLB (0.47) POLBCCR5CNR2PRPS1PCSK9
SCHEMBL5444504 0.90 POLB (0.47) POLBCCR5CNR2PCSK9CCR2
SCHEMBL14410883 0.90 CNR2 (0.56) POLBCNR2CNR1
SCHEMBL5452539 0.87 PKM (0.45) CNR2PRPS1CNR1KDM4E
SCHEMBL5456698 0.85 PRPS1 (0.42) POLBPRPS1CNR1KDM4EMAPT
SCHEMBL5451493 0.83 POLB (0.48) POLBCNR2CNR1ABL1RIN1
SCHEMBL5444412 0.82 CNR2 (0.51) POLBCNR2CNR1KDM4E
SCHEMBL14410865 0.82 CNR2 (0.46) CNR2CNR1KDM4E
SCHEMBL14410882 0.81 CNR2 (0.53) CNR2CNR1KDM4EMAPT

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 POLB 4520/4885CCR5 1408/4885CNR2 106/4885

“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.