SCHEMBL1622909

SCHEMBL1622909

CC(C)(C)OC(=O)N1CCc2nc(Cc3ccc(F)cc3)nc(OS(=O)(=O)C(F)(F)F)c2CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MMP13 P45452 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
P2RX7 Q99572 1/20 0.38
KDM1A O60341 1/20 0.38
PTGER4 P35408 1/20 0.37
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR119 Q8TDV5 4/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
TP53 P04637 1/20 0.35
STS P08842 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL1621255 0.93 STS (0.42) MEN1KMT2AGPR119STS
SCHEMBL194527 0.88 PDE10A (0.40) GPR119STS
SCHEMBL1621309 0.82 HTR2C (0.42) CNR1CNR2MMP13KDM1APTGER4
SCHEMBL183306 0.82 HTR2A (0.53) CNR1CNR2MMP13P2RX7KDM1A
SCHEMBL1622212 0.81 CNR1 (0.43) CNR1CNR2IDO1TDO2IDO2
SCHEMBL1622444 0.81 CNR1 (0.42) CNR1CNR2KDM1APTGER4GRM5
SCHEMBL1622403 0.79 STS (0.41) GPR119STS
SCHEMBL1261952 0.78 PARP1 (0.42) CNR1CNR2KDM1APTGER4GRM5
SCHEMBL12719890 0.77 JAK2 (0.40) GPR119TP53STS
SCHEMBL4192572 0.77 CCNA2 (0.39) GRM5KMT2AGPR119STS

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 CNR1 116/4885CNR2 82/4885MMP13 4042/4885

“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.