SCHEMBL5446754

SCHEMBL5446754

O=C(c1cn(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
S1PR1 P21453 1/20 0.50
CNR2 P34972 8/20 0.49
IDO1 P14902 3/20 0.48
CNR1 P21554 5/20 0.45
AVPR1A P37288 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5460398 0.85 L3MBTL1 (0.56) CNR2CNR1AVPR1AL3MBTL1
SCHEMBL5461394 0.85 SMN1; SMN2 (0.54) CNR2CNR1AVPR1A
SCHEMBL5450951 0.81 HTR7 (0.55) KDM4ES1PR1CNR2IDO1
SCHEMBL5454221 0.77 KDM4E (0.53) KDM4ES1PR1CNR2IDO1CNR1
SCHEMBL5455285 0.77 KDM4E (0.52) KDM4ES1PR1CNR2IDO1CNR1
SCHEMBL2037472 0.76 CNR2 (0.63) KDM4ES1PR1CNR2IDO1CNR1
SCHEMBL2045110 0.75 CNR2 (0.64) KDM4ES1PR1CNR2IDO1CNR1
SCHEMBL5444289 0.75 CHRM1 (0.51) KDM4ES1PR1CNR2IDO1CNR1
SCHEMBL14411123 0.74 KDM4E (0.49) KDM4ES1PR1CNR2IDO1CNR1
SCHEMBL7346173 0.74 KDM4E (0.65) KDM4ES1PR1CNR2IDO1CNR1

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 KDM4E 3327/4885S1PR1 325/4885CNR2 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.