SCHEMBL5453959

SCHEMBL5453959

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
CNR2 P34972 15/20 0.49
CNR1 P21554 14/20 0.49
HTR3A P46098 2/20 0.46
KDM4E B2RXH2 1/20 0.45
IDO1 P14902 1/20 0.44

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
SCHEMBL5449409 0.84 CNR2 (0.56) CNR2CNR1HTR3A
SCHEMBL5451206 0.80 ATM (0.54) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL5448521 0.79 ATM (0.53) ATMCNR2CNR1HTR3AIDO1
SCHEMBL31404665 0.79 HTT (0.60) ATMHTR3AKDM4EIDO1
SCHEMBL21979497 0.79 HTT (0.60) ATMHTR3AKDM4EIDO1
SCHEMBL5452543 0.78 ATM (0.52) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL5448739 0.78 ATM (0.52) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL5446808 0.78 IDO1 (0.51) ATMIDO1
SCHEMBL5444219 0.78 ATM (0.52) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL5454610 0.78 ATM (0.52) ATMCNR2CNR1HTR3AKDM4E

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 ATM 4514/4885CNR2 106/4885CNR1 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.