SCHEMBL5452543

SCHEMBL5452543

O=C(c1cn(CCCN2CCN(CCOc3ccccc3)CC2)c2ncccc12)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CNR1 P21554 5/20 0.44
CNR2 P34972 5/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KCNA5 P22460 3/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR3A P46098 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 1/20 0.41
GAA P10253 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
SCHEMBL5446808 0.92 IDO1 (0.51) ATMALDH1A1KCNA5DRD3L3MBTL1
SCHEMBL5451416 0.88 ALDH1A1 (0.58) CNR1CNR2ALDH1A1SMN1; SMN2KCNA5
SCHEMBL5451206 0.85 ATM (0.54) ATMCNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL5454610 0.84 ATM (0.52) ATMCNR1CNR2KDM4EHTR3A
SCHEMBL5444278 0.83 IDO1 (0.45) ATMDRD2DRD3HTR3AIDO1
SCHEMBL14463733 0.80 ATM (0.56) ATMCNR1CNR2HTR3A
SCHEMBL14411395 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KCNA5DRD2DRD3
SCHEMBL5450078 0.79 ATM (0.55) ATMCNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL5461515 0.79 ATM (0.44) ATMCNR1CNR2HTR3A
SCHEMBL5448739 0.79 ATM (0.52) ATMCNR1CNR2DRD2DRD3

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.