SCHEMBL5453464

SCHEMBL5453464

CC(=O)CCc1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.52
ADRA1A P35348 2/20 0.50
ADRA1B P35368 1/20 0.49
PLK1 P53350 4/20 0.47
P2RX7 Q99572 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
CDC25A P30304 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
SCHEMBL5462921 0.84 SMN1; SMN2 (0.55) PLK1P2RX7CNR2KMT2A
SCHEMBL14411259 0.82 SMN1; SMN2 (0.55) PLK1P2RX7CNR2KMT2A
SCHEMBL5451287 0.80 L3MBTL1 (0.54) PLK1P2RX7MAPTPOLBCNR2
SCHEMBL5452999 0.80 KMT2A (0.52) PLK1P2RX7POLBCNR2MEN1
SCHEMBL5455250 0.79 CNR2 (0.48) PLK1P2RX7CNR2CHRM2CHRM1
SCHEMBL5446732 0.78 KCNH2 (0.53) ADRA1DADRA1AADRA1BPLK1CNR2
SCHEMBL5455285 0.78 KDM4E (0.52) ADRA1DPLK1P2RX7CNR2
SCHEMBL5442774 0.77 ADRA1D (0.50) ADRA1DADRA1AADRA1BPOLBCNR2
SCHEMBL5451221 0.75 ADRA1D (0.49) ADRA1DADRA1AADRA1BPOLBCNR2
SCHEMBL5453565 0.75 ALDH1A1 (0.42) PLK1P2RX7CNR2CHRM2CHRM1

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 ADRA1D 941/4885ADRA1A 934/4885ADRA1B 730/4885

“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.