SCHEMBL5451493

SCHEMBL5451493

CC(=O)c1cn(CCCN2CCCN(Cc3ccc(F)cc3)CC2)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
FSCN1 Q16658 1/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 1/20 0.42
CNR1 P21554 4/20 0.42
CNR2 P34972 4/20 0.42
HTR3A P46098 4/20 0.42
HTR6 P50406 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
HTR1A P08908 2/20 0.41
HTR2C P28335 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 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
SCHEMBL5448739 0.90 ATM (0.52) PDE4APDE4BPDE4CPDE4DTMEM97
SCHEMBL5457439 0.84 CNR1 (0.43) KDM4ECNR1CNR2HTR2AAPP
SCHEMBL5453001 0.83 CNR2 (0.47) CNR1CNR2
SCHEMBL5446660 0.83 POLB (0.48) POLBFSCN1KDM4ECNR1CNR2
SCHEMBL14463818 0.83 CNR2 (0.44) CNR1CNR2HTR3AHTR6
SCHEMBL5454795 0.83 POLB (0.48) POLBFSCN1KDM4ECNR1CNR2
SCHEMBL14410883 0.82 CNR2 (0.56) POLBCNR1CNR2DRD3
SCHEMBL5444504 0.82 POLB (0.47) POLBFSCN1CNR2ABL1RIN1
SCHEMBL5444363 0.82 POLB (0.47) POLBFSCN1CNR1CNR2ABL1
SCHEMBL5453680 0.79 HTR3E (0.44) POLBSIGMAR1KDM4ECNR1CNR2

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 POLB 4520/4885PDE4A 703/4885PDE4B 806/4885

“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.