SCHEMBL5454424

SCHEMBL5454424

O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
PTPN7 P35236 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 1/20 0.44
EPHX2 P34913 1/20 0.43
CNR1 P21554 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CCR3 P51677 1/20 0.42
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.41
F10 P00742 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL5446450 0.91 HDAC1 (0.54) CCR1PTPN7HDAC1HDAC6CNR2
SCHEMBL5455194 0.91 PTPN7 (0.45) CCR1PTPN7CNR2CNR1KMT2A
SCHEMBL5460328 0.89 PDE10A (0.49) CCR1CNR2EPHX2CNR1PDE10A
SCHEMBL5448911 0.88 EPHX2 (0.46) CCR1PTPN7HDAC1HDAC6CNR2
SCHEMBL14463890 0.85 PTPN7 (0.51) PTPN7CNR2CNR1KMT2AMEN1
SCHEMBL5460619 0.85 PDE10A (0.50) CNR2NPC1CNR1PDE10ACCR3
SCHEMBL14411176 0.83 CNR2 (0.44) CCR1CNR2CNR1KMT2AMEN1
SCHEMBL5440891 0.83 PDE10A (0.51) CNR2CNR1PDE10ACCR3KMT2A
SCHEMBL14411476 0.83 SLC6A2 (0.54) PTPN7HDAC1HDAC6CNR2CNR1
Hydrochloric Acid SCHEMBL5456529 0.83 CNR2 (0.44) CCR1CNR2CNR1KMT2AMEN1

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 CCR1 1195/4885PTPN7 592/4885HDAC1 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.