SCHEMBL5451577

SCHEMBL5451577

O=C(c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
IDO1 P14902 5/20 0.46
S1PR1 P21453 1/20 0.46
CNR2 P34972 3/20 0.45
PTPN7 P35236 1/20 0.43
HTT P42858 1/20 0.42
HTR3A P46098 2/20 0.42
MAPT P10636 2/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL5464700 0.92 IDO1 (0.47) KDM4EIDO1S1PR1CNR2HTT
SCHEMBL14410846 0.89 SMN1; SMN2 (0.53) CNR2PTPN7HTR3AMAPT
Hydrochloric Acid SCHEMBL5450966 0.88 SMN1; SMN2 (0.52) CNR2PTPN7HTR3AMAPT
SCHEMBL14463749 0.88 CNR2 (0.48) CNR2PTPN7HTR3AMAPTHTR2A
SCHEMBL14411269 0.88 LMNA (0.52) CNR2HTR3AMAPTCNR1
SCHEMBL5463074 0.87 CNR2 (0.52) CNR2PTPN7HTR3AMAPTCNR1
SCHEMBL14411375 0.87 SMN1; SMN2 (0.53) CNR2PTPN7HTR3AMAPT
SCHEMBL5441604 0.86 KDM4E (0.46) KDM4EIDO1S1PR1CNR2HTT
SCHEMBL14463890 0.86 PTPN7 (0.51) CNR2PTPN7HTR3AMAPTCNR1
SCHEMBL14463846 0.85 KDM4E (0.45) KDM4EIDO1S1PR1CNR2HTT

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 KDM4E 3327/4885IDO1 3073/4885S1PR1 325/4885

“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.