SCHEMBL5451449

SCHEMBL5451449

O=C(c1cn(CCCN2CCCC(Oc3ccc(Cl)cc3)C2)c2ncccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
HTR3A P46098 6/20 0.43
HRH3 Q9Y5N1 5/20 0.39
IDO1 P14902 1/20 0.39
ESR1 P03372 2/20 0.37
F10 P00742 1/20 0.37
CHEK2 O96017 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
NPY1R P25929 1/20 0.36

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
SCHEMBL14463719 0.91 ATM (0.43) ATMHTR3AESR1
SCHEMBL5455028 0.90 HRH3 (0.43) HTR3AHRH3F10ALDH1A1MAPK1
SCHEMBL5446808 0.82 IDO1 (0.51) ATMHRH3IDO1ALDH1A1
SCHEMBL5461515 0.82 ATM (0.44) ATMHTR3AHRH3
SCHEMBL5444278 0.82 IDO1 (0.45) ATMHTR3AHRH3IDO1
SCHEMBL5451141 0.80 ATM (0.50) ATMHTR3AALDH1A1MAPK1
SCHEMBL14463900 0.77 ATM (0.43) ATMHTR3AIDO1
SCHEMBL5464700 0.76 IDO1 (0.47) HTR3AIDO1HTTNPY1R
SCHEMBL5453769 0.76 HTR3A (0.51) ATMHTR3AIDO1
SCHEMBL5450044 0.76 PRPS1 (0.44) HRH3CHEK2

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 4514/4885HTR3A 373/4885HRH3 527/4885

“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.