SCHEMBL1623648

SCHEMBL1623648

c1ccc(CCNc2nc(N3CCSCC3)nc3c2CCNCC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.57
HTR2A P28223 5/20 0.57
ACHE P22303 2/20 0.52
HRH4 Q9H3N8 3/20 0.48
HRH1 P35367 1/20 0.48
CETP P11597 1/20 0.48
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
ROCK1 Q13464 1/20 0.45
HTR2B P41595 2/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
HTR6 P50406 1/20 0.42
HTR3A P46098 1/20 0.42
VCP P55072 1/20 0.41
P2RX3 P56373 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
SCHEMBL1623643 0.83 HTR2C (0.66) HTR2CHTR2AACHEHRH4HRH1
SCHEMBL1623082 0.81 HTR2A (0.56) HTR2CHTR2AHRH4HTR2B
SCHEMBL1622063 0.79 PDE4A (0.55) HTR6VCP
SCHEMBL1620536 0.76 HTR2A (0.72) HTR2CHTR2AHTR2B
SCHEMBL11100844 0.75 KHK (0.51) ACHECETPESR1ESR2ROCK1
SCHEMBL1622748 0.73 HTR2A (0.82) HTR2CHTR2AHRH1HTR2B
SCHEMBL14918638 0.72 HRH4 (0.74) HTR2AHRH4CETPESR1ESR2
SCHEMBL1628359 0.70 HTR2A (0.77) HTR2CHTR2AHRH1HTR2B
SCHEMBL12719524 0.69 HTR2A (0.64) HTR2CHTR2AHRH4CETPHTR2B
SCHEMBL1621297 0.68 CETP (0.48) HTR2CHTR2ACETPHTR2BVCP

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 2/4885ACHE 2594/4885

“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.