SCHEMBL1621232

SCHEMBL1621232

CC(C)(C)OC(=O)N1CCc2nc(C3(c4ccccc4)CC3)nc(OS(=O)(=O)C(F)(F)F)c2CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
TACR1 P25103 1/20 0.41
RORC P51449 7/20 0.40
ATM Q13315 1/20 0.39
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
STS P08842 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL1623132 0.82 CKS1B (0.37) TACR1RORCCKS1BSKP1SKP2
SCHEMBL1621294 0.82 RORC (0.38) TACR1RORCCKS1BSKP1SKP2
SCHEMBL1621255 0.81 STS (0.42) OPRD1OPRK1TACR1CKS1BSKP1
SCHEMBL1623255 0.81 CKS1B (0.38) TSHRALOX15ATMCKS1BSKP1
SCHEMBL1621129 0.79 MTOR (0.48) OPRD1OPRK1TSHRALOX15GPR119
SCHEMBL12719890 0.79 JAK2 (0.40) OPRD1OPRK1GPR119STS
SCHEMBL4192572 0.79 CCNA2 (0.39) GPR119STSPARP1TNKS2PARP2
SCHEMBL1622911 0.78 OPRD1 (0.44) OPRD1OPRK1TSHRALOX15TACR1
SCHEMBL194527 0.76 PDE10A (0.40) GPR119STSPARP1TNKS2PARP2
SCHEMBL1622909 0.76 CNR1 (0.39) GPR119STS

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-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
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 OPRD1 73/4885OPRK1 164/4885TSHR 162/4885

“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.