SCHEMBL1622748

SCHEMBL1622748

C1Cc2nc(N3CCSCC3)nc(N3CCSCC3)c2CCN1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.82
HTR2C P28335 11/20 0.60
HTR2B P41595 4/20 0.42
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
HRH1 P35367 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
GBA1 P04062 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1628359 0.96 HTR2A (0.77) HTR2AHTR2CHTR2BHRH1USP2
SCHEMBL12719536 0.93 HTR2A (0.73) HTR2AHTR2CHTR2BPIK3R1PIK3CA
SCHEMBL12719524 0.83 HTR2A (0.64) HTR2AHTR2CHTR2BSMN1; SMN2KDM4E
SCHEMBL1620536 0.80 HTR2A (0.72) HTR2AHTR2CHTR2BTRPV1
SCHEMBL1623270 0.77 HTR2A (0.54) HTR2AHTR2CHTR2BMTORTRPV1
SCHEMBL1621335 0.76 HTR2A (0.59) HTR2AHTR2CHTR2BKDM4EHPGD
SCHEMBL1623082 0.76 HTR2A (0.56) HTR2AHTR2CHTR2BTRPV1
SCHEMBL1622597 0.75 HTR2A (0.55) HTR2AHTR2CHTR2BMTOR
SCHEMBL11286794 0.74 HTR2C (0.62) HTR2AHTR2CHRH1USP2SMN1; SMN2
SCHEMBL1623093 0.73 HTR2C (0.53) HTR2AHTR2CHTR2B

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.