SCHEMBL5454610

SCHEMBL5454610

O=C(c1cn(CCCN2CCCN(CCc3ccccc3)CC2)c2ncccc12)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CNR2 P34972 8/20 0.44
CNR1 P21554 7/20 0.44
S1PR1 P21453 1/20 0.42
ACHE P22303 1/20 0.42
HTR3A P46098 2/20 0.40
HDAC3 O15379 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL5453001 0.89 CNR2 (0.47) CNR2CNR1HDAC3
SCHEMBL5448739 0.85 ATM (0.52) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL14463733 0.85 ATM (0.56) ATMCNR2CNR1HTR3A
SCHEMBL5452543 0.84 ATM (0.52) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL5450078 0.84 ATM (0.55) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL5446808 0.78 IDO1 (0.51) ATMHRH3
SCHEMBL5441614 0.78 ATM (0.48) ATMCNR2CNR1S1PR1HTR3A
SCHEMBL5444219 0.78 ATM (0.52) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL5453959 0.78 ATM (0.63) ATMCNR2CNR1HTR3AKDM4E
SCHEMBL5451141 0.76 ATM (0.50) ATMCNR2CNR1HTR3A

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 4514/4885CNR2 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.