SCHEMBL5451206

SCHEMBL5451206

O=C(c1cn(CCCNCCOc2ccccc2)c2ncccc12)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CNR1 P21554 13/20 0.48
CNR2 P34972 13/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR3A P46098 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
SCHEMBL5452543 0.85 ATM (0.52) ATMCNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL5453959 0.80 ATM (0.63) ATMCNR1CNR2KDM4EHTR3A
SCHEMBL5448521 0.78 ATM (0.53) ATMCNR1CNR2HTR3A
SCHEMBL5446808 0.77 IDO1 (0.51) ATMALDH1A1DRD3L3MBTL1
SCHEMBL5444278 0.73 IDO1 (0.45) ATMDRD2DRD3HTR3A
SCHEMBL5454610 0.72 ATM (0.52) ATMCNR1CNR2KDM4EHTR3A
SCHEMBL5451416 0.72 ALDH1A1 (0.58) CNR1CNR2ALDH1A1SMN1; SMN2DRD2
SCHEMBL5446839 0.72 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL5454690 0.71 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL5457605 0.71 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2DRD2DRD4DRD3

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 ATM 4514/4885CNR1 65/4885CNR2 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.