SCHEMBL1622063

SCHEMBL1622063

c1ccc(CNc2nc(N3CCC3)nc3c2CCNCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.55
PDE4B Q07343 4/20 0.55
PDE4C Q08493 4/20 0.55
PDE4D Q08499 4/20 0.55
VCP P55072 14/20 0.54
HTR6 P50406 1/20 0.49
PDE5A O76074 1/20 0.49

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
SCHEMBL1623648 0.79 HTR2C (0.57) VCPHTR6
SCHEMBL3641766 0.73 PDE5A (0.73) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3642572 0.73 PDE5A (0.81) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL1621297 0.72 CETP (0.48) VCP
SCHEMBL15558834 0.71 VCP (0.73) VCP
SCHEMBL18095880 0.71 VCP (0.66) VCP
SCHEMBL291798 0.71 PDE4A (0.96) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL15549232 0.71 VCP (0.79) VCP
SCHEMBL3643346 0.71 PDE5A (0.79) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL15421073 0.70 VCP (1.00) VCP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 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-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A PDE4A 200/4885PDE4B 208/4885PDE4C 215/4885

“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.