SCHEMBL5448786

SCHEMBL5448786

COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.53
PDE10A Q9Y233 1/20 0.50
CNR1 P21554 2/20 0.48
PCSK9 Q8NBP7 2/20 0.46
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
HDAC1 Q13547 1/20 0.42
TUBB2A Q13885 1/20 0.42

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
SCHEMBL5448624 0.93 CNR2 (0.53) CNR2PDE10ACNR1TP53MAPT
SCHEMBL5456424 0.90 CNR2 (0.51) CNR2PDE10ACNR1NPC1RAB9A
SCHEMBL14411423 0.87 CNR2 (0.51) CNR2PDE10ACNR1MAPTNPC1
SCHEMBL14463717 0.85 CNR2 (0.46) CNR2CNR1PCSK9TP53MAPT
SCHEMBL14412025 0.85 PDE10A (0.55) CNR2PDE10A
SCHEMBL5450011 0.85 CNR2 (0.48) CNR2PDE10ACNR1PCSK9TP53
SCHEMBL5460817 0.84 CNR2 (0.52) CNR2CNR1PCSK9NPC1RAB9A
SCHEMBL5448672 0.83 PDE10A (0.53) CNR2PDE10AKMT2A
SCHEMBL5448901 0.83 PDE10A (0.53) CNR2PDE10A
SCHEMBL14412026 0.83 PDE10A (0.53) CNR2PDE10ATP53

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 CNR2 106/4885PDE10A 514/4885CNR1 65/4885

“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.