SCHEMBL1628359

SCHEMBL1628359

C1CCN(c2nc3c(c(N4CCSCC4)n2)CCNCC3)C1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.77
HTR2C P28335 9/20 0.56
HRH1 P35367 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2B P41595 4/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
GBA1 P04062 3/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39

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
SCHEMBL1622748 0.96 HTR2A (0.82) HTR2AHTR2CHRH1USP2SMN1; SMN2
SCHEMBL12719536 0.89 HTR2A (0.73) HTR2AHTR2CHTR2B
SCHEMBL11286794 0.80 HTR2C (0.62) HTR2AHTR2CHRH1USP2SMN1; SMN2
SCHEMBL12719524 0.80 HTR2A (0.64) HTR2AHTR2CSMN1; SMN2HTR2B
SCHEMBL1620536 0.77 HTR2A (0.72) HTR2AHTR2CHTR2B
SCHEMBL1623270 0.74 HTR2A (0.54) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL1621335 0.73 HTR2A (0.59) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL1623082 0.73 HTR2A (0.56) HTR2AHTR2CHTR2B
SCHEMBL11281402 0.72 HTR2C (0.67) HTR2AHTR2CHRH1USP2SMN1; SMN2
SCHEMBL11284575 0.72 HTR2C (0.67) HTR2AHTR2CHRH1USP2SMN1; SMN2

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 1/4885HRH1 123/4885

“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.