SCHEMBL5452539

SCHEMBL5452539

CC(=O)c1cn(CCCN2CCCN(Cc3ccccc3Cl)CC2)c2c(Cl)cccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
PRPS1 P60891 1/20 0.42
CNR1 P21554 1/20 0.42
MEN1 O00255 3/20 0.41
RAB9A P51151 2/20 0.41
DRD4 P21917 1/20 0.41
CNR2 P34972 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FAAH O00519 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ADRA1D P25100 1/20 0.38

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
SCHEMBL5447887 0.94 PKM (0.44) PKMALDH1A1KMT2AKDM4ECNR1
SCHEMBL5448661 0.93 PKM (0.43) PKMALDH1A1KMT2AKDM4EPRPS1
SCHEMBL5333900 0.93 PKM (0.43) PKMALDH1A1KMT2AKDM4ECNR1
SCHEMBL14410865 0.91 CNR2 (0.46) PKMALDH1A1KMT2AKDM4ECNR1
SCHEMBL5451036 0.90 ALDH1A1 (0.47) PKMALDH1A1KMT2AKDM4EMEN1
SCHEMBL5454795 0.87 POLB (0.48) KDM4EPRPS1CNR1CNR2
SCHEMBL5456698 0.86 PRPS1 (0.42) ALDH1A1KMT2AKDM4EPRPS1CNR1
SCHEMBL5457439 0.86 CNR1 (0.43) PKMALDH1A1KMT2AKDM4ECNR1
SCHEMBL5443022 0.83 PRPS1 (0.45) ALDH1A1KDM4EPRPS1CNR1CNR2
SCHEMBL5452479 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ESIGMAR1

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 PKM 4015/4885ALDH1A1 2963/4885KMT2A 4056/4885

“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.