SCHEMBL1621335

SCHEMBL1621335

CCN(C)c1nc(N2CCSCC2)nc2c1CCNCC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.59
HTR2C P28335 13/20 0.56
HTR2B P41595 5/20 0.42
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1623093 0.87 HTR2C (0.53) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL1623212 0.86 HTR2A (0.60) HTR2AHTR2CHTR2BKDM4EHPGD
SCHEMBL1622748 0.76 HTR2A (0.82) HTR2AHTR2CHTR2BKDM4EHPGD
SCHEMBL1620536 0.74 HTR2A (0.72) HTR2AHTR2CHTR2B
SCHEMBL1623082 0.73 HTR2A (0.56) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL1628359 0.73 HTR2A (0.77) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL1620638 0.73 HTR2C (0.74) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL12719536 0.71 HTR2A (0.73) HTR2AHTR2CHTR2BKDM4EHPGD
SCHEMBL11284926 0.69 HTR2A (0.67) HTR2AHTR2CPDE4APDE4BPDE4C
SCHEMBL12719554 0.68 HTR2C (0.51) HTR2AHTR2CHTR2BALDH1A1

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 HTR2A 2/4885HTR2C 1/4885HTR2B 4/4885

“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.