SCHEMBL5455285

SCHEMBL5455285

CC(c1ccccc1)N1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
IDO1 P14902 3/20 0.48
S1PR1 P21453 1/20 0.48
HTT P42858 1/20 0.47
CNR2 P34972 5/20 0.47
P2RX7 Q99572 3/20 0.46
PLK1 P53350 1/20 0.45
CNR1 P21554 3/20 0.44
ADRA1D P25100 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL5462921 0.88 SMN1; SMN2 (0.55) CNR2P2RX7PLK1CNR1
SCHEMBL5451287 0.86 L3MBTL1 (0.54) CNR2P2RX7PLK1CNR1
SCHEMBL5452999 0.86 KMT2A (0.52) CNR2P2RX7PLK1CNR1
SCHEMBL14411259 0.86 SMN1; SMN2 (0.55) CNR2P2RX7PLK1CNR1
SCHEMBL5455250 0.85 CNR2 (0.48) CNR2P2RX7PLK1CNR1
SCHEMBL14411123 0.78 KDM4E (0.49) KDM4EIDO1S1PR1HTTCNR2
SCHEMBL5453464 0.78 ADRA1D (0.52) CNR2P2RX7PLK1ADRA1D
SCHEMBL5454221 0.77 KDM4E (0.53) KDM4EIDO1S1PR1CNR2CNR1
SCHEMBL5450951 0.77 HTR7 (0.55) KDM4EIDO1S1PR1CNR2CCR3
SCHEMBL5444289 0.77 CHRM1 (0.51) KDM4EIDO1S1PR1HTTCNR2

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 KDM4E 3327/4885IDO1 3073/4885S1PR1 325/4885

“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.