SCHEMBL5455250

SCHEMBL5455250

CC(C)CC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.48
P2RX7 Q99572 2/20 0.47
PLK1 P53350 2/20 0.46
CNR1 P21554 4/20 0.45
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 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
SCHEMBL5452999 0.91 KMT2A (0.52) CNR2P2RX7PLK1CNR1
SCHEMBL5462921 0.89 SMN1; SMN2 (0.55) CNR2P2RX7PLK1CNR1ALDH1A1
SCHEMBL5451287 0.87 L3MBTL1 (0.54) CNR2P2RX7PLK1CNR1SMN1; SMN2
SCHEMBL14411259 0.87 SMN1; SMN2 (0.55) CNR2P2RX7PLK1CNR1ALDH1A1
SCHEMBL5455285 0.85 KDM4E (0.52) CNR2P2RX7PLK1CNR1
SCHEMBL5440332 0.80 KCNH2 (0.52) CNR2CNR1ALDH1A1
SCHEMBL5453464 0.79 ADRA1D (0.52) CNR2P2RX7PLK1CHRM2CHRM1
SCHEMBL14464406 0.79 CNR2 (0.42) CNR2P2RX7CNR1
SCHEMBL5440790 0.78 CHRM1 (0.52) CNR2CNR1CHRM2CHRM1
SCHEMBL5446506 0.78 SMN1; SMN2 (0.42) CNR2P2RX7PLK1CNR1ALDH1A1

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 CNR2 106/4885P2RX7 809/4885PLK1 4200/4885

“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.