SCHEMBL1622161

SCHEMBL1622161

O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2c1CCN(Cc1ccccc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 11/20 0.54
HTR2C P28335 1/20 0.51
SLC6A5 Q9Y345 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL1623054 0.87 CLPP (0.60) CLPPHTR2CSLC6A5
SCHEMBL1622868 0.86 HTR2C (0.67) CLPPHTR2CSLC6A5
SCHEMBL1623216 0.85 CLPP (0.61) CLPPHTR2CSLC6A5
SCHEMBL1621591 0.85 CLPP (0.61) CLPPHTR2CTSHRLMNASIGMAR1
SCHEMBL1622887 0.82 CLPP (0.61) CLPPHTR2CSLC6A5KDM4ELMNA
SCHEMBL1623273 0.81 CLPP (0.60) CLPPHTR2CSLC6A5SIGMAR1
SCHEMBL1622784 0.81 CLPP (0.62) CLPPHTR2CSLC6A5KDM4EALDH1A1
SCHEMBL1621061 0.80 KDM4E (0.47) CLPPHTR2CKDM4EALDH1A1GAA
SCHEMBL1622453 0.79 CLPP (0.62) CLPPHTR2CSLC6A5
SCHEMBL1623301 0.79 CLPP (0.62) CLPPHTR2CSLC6A5LMNA

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 7 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-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
EP-2139896-A1 PYRIMIDO [4, 5-D]AZEPINE DERIVATIVES AS 5-HT2C AGONISTS Pfizer Limited (GB) 2010-01-06 EP disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 WO disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 WO 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 CLPP 4685/4885HTR2C 1/4885SLC6A5 467/4885

“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.