SCHEMBL5452999

SCHEMBL5452999

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CNR1 P21554 3/20 0.50
CNR2 P34972 9/20 0.49
P2RX7 Q99572 2/20 0.48
MEN1 O00255 1/20 0.47
PLK1 P53350 1/20 0.47
POLB P06746 1/20 0.44

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
SCHEMBL5455250 0.91 CNR2 (0.48) CNR1CNR2P2RX7PLK1
SCHEMBL5462921 0.90 SMN1; SMN2 (0.55) KMT2ACNR1CNR2P2RX7PLK1
SCHEMBL5451287 0.88 L3MBTL1 (0.54) KMT2AL3MBTL1CNR1CNR2P2RX7
SCHEMBL14411259 0.88 SMN1; SMN2 (0.55) KMT2ACNR1CNR2P2RX7PLK1
SCHEMBL5455285 0.86 KDM4E (0.52) CNR1CNR2P2RX7PLK1
SCHEMBL14464406 0.81 CNR2 (0.42) CNR1CNR2P2RX7
SCHEMBL5453464 0.80 ADRA1D (0.52) KMT2ACNR2P2RX7MEN1PLK1
SCHEMBL5453540 0.79 CNR2 (0.46) CNR1CNR2
SCHEMBL5453565 0.79 ALDH1A1 (0.42) CNR1CNR2P2RX7PLK1
SCHEMBL5446506 0.79 SMN1; SMN2 (0.42) KMT2ACNR1CNR2P2RX7PLK1

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 KMT2A 4056/4885L3MBTL1 4494/4885CNR1 65/4885

“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.