SCHEMBL1623643

SCHEMBL1623643

c1ccc(CCNc2nc3c(c(N4CCSCC4)n2)CCNCC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.66
HTR2A P28223 4/20 0.66
HTR2B P41595 3/20 0.51
HRH4 Q9H3N8 4/20 0.48
HRH1 P35367 3/20 0.48
CETP P11597 1/20 0.48
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
ACHE P22303 1/20 0.47
ROCK1 Q13464 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.42
OGA O60502 1/20 0.40
AKT1 P31749 1/20 0.38
MYLK Q15746 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 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
SCHEMBL1623648 0.83 HTR2C (0.57) HTR2CHTR2AHTR2BHRH4HRH1
SCHEMBL1622597 0.82 HTR2A (0.55) HTR2CHTR2AHTR2B
SCHEMBL1623270 0.73 HTR2A (0.54) HTR2CHTR2AHTR2BROCK1
SCHEMBL1622748 0.70 HTR2A (0.82) HTR2CHTR2AHTR2BHRH1
SCHEMBL1622249 0.69 HTR2C (0.66) HTR2CHTR2AHTR2BHRH4CETP
SCHEMBL12719524 0.69 HTR2A (0.64) HTR2CHTR2AHTR2BHRH4CETP
SCHEMBL2945504 0.69 HRH1 (0.40) HTR2CHTR2AHTR2BHRH4HRH1
SCHEMBL11048555 0.69 ACHE (0.47) HRH4HRH1ACHEMRGPRX1
SCHEMBL1622483 0.69 HTR2C (0.80) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL1622651 0.68 HTR2C (1.00) HTR2CHTR2AHTR2BHTR7HTR6

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 HTR2C 1/4885HTR2A 2/4885HTR2B 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.