SCHEMBL5455261

SCHEMBL5455261

COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
CNR1 P21554 3/20 0.49
PKM P14618 1/20 0.42
ADRB2 P07550 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFD P00746 1/20 0.40
HRH2 P25021 1/20 0.40
CCR3 P51677 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SSTR5 P35346 1/20 0.40

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
SCHEMBL14411198 0.94 CNR2 (0.49) CNR2CNR1PKMADRB2KMT2A
SCHEMBL5453706 0.91 CNR2 (0.49) CNR2CNR1PKMKMT2ASMN1; SMN2
SCHEMBL5444562 0.90 CCR1 (0.45) CNR2CNR1ADRB2SMN1; SMN2HRH2
SCHEMBL14410846 0.88 SMN1; SMN2 (0.53) CNR2PKMKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5450966 0.87 SMN1; SMN2 (0.52) CNR2PKMKMT2ASMN1; SMN2
SCHEMBL5448029 0.86 IDO1 (0.49) CNR2CNR1HRH2CCR3SSTR5
SCHEMBL5462884 0.86 CNR2 (0.46) CNR2CNR1PKMKMT2ASMN1; SMN2
SCHEMBL14411375 0.86 SMN1; SMN2 (0.53) CNR2PKMKMT2ASMN1; SMN2
SCHEMBL5453982 0.85 CNR2 (0.49) CNR2CNR1PKMCFDHRH2
SCHEMBL5448665 0.84 CNR2 (0.49) CNR2CNR1PKMKMT2ASMN1; SMN2

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 CNR2 106/4885CNR1 65/4885PKM 4015/4885

“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.