SCHEMBL5460451

SCHEMBL5460451

CN(CCCn1cc(C(=O)NCc2ccccc2Cl)c2ccccc21)CCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
CNR1 P21554 2/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
P2RX7 Q99572 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
IL1B P01584 1/20 0.42
PTPN7 P35236 1/20 0.42
PDE10A Q9Y233 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL5441848 0.89 HDAC1 (0.59) CNR2CNR1HDAC1HDAC6MEN1
SCHEMBL5460563 0.87 HDAC1 (0.48) CNR2CNR1HDAC1HDAC6MEN1
SCHEMBL5444223 0.84 CNR2 (0.49) CNR2CNR1HDAC1HDAC6ALDH1A1
SCHEMBL5451107 0.84 CYP2D6 (0.49) CNR2CNR1HDAC1HDAC6ALDH1A1
SCHEMBL5454505 0.83 CNR2 (0.57) CNR2CNR1KMT2AALDH1A1SLC22A12
SCHEMBL5460505 0.82 CNR1 (0.54) CNR2CNR1KMT2AALDH1A1SLC22A12
SCHEMBL5454242 0.80 CNR2 (0.45) CNR2CNR1SLC22A12
SCHEMBL5454811 0.78 CNR2 (0.52) CNR2CNR1KMT2AALDH1A1PTPN7
SCHEMBL14463906 0.73 LMNA (0.52) CNR2CNR1HDAC1HDAC6MEN1
SCHEMBL14411479 0.71 CNR2 (0.48) CNR2CNR1HDAC1HDAC6MEN1

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 106/4885CNR1 65/4885HDAC1 147/4885

“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.