SCHEMBL1623136

SCHEMBL1623136

CC(C)(C)OC(=O)N1CCc2cnc(C(C)(C)c3ccccc3)nc2CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
GPR119 Q8TDV5 2/20 0.42
ESR2 Q92731 1/20 0.42
PTPN11 Q06124 1/20 0.42
NR1H2 P55055 1/20 0.41
ACHE P22303 1/20 0.41
GRM5 P41594 3/20 0.41
POLB P06746 1/20 0.40
HPGDS O60760 1/20 0.40
GRM1 Q13255 1/20 0.39
GBA1 P04062 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1622919 0.80 MAPT (0.49) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL1623060 0.80 MAPT (0.49) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL1623059 0.80 MAPT (0.49) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL1623466 0.80 MAPT (0.49) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL1622416 0.79 ADRB2 (0.43) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL1621595 0.78 CKS1B (0.43) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL12719901 0.77 MAPT (0.47) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL12719902 0.77 MAPT (0.53) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL13568074 0.76 CKS1B (0.49) MAPTCKS1BSKP1SKP2GPR119
SCHEMBL4870556 0.76 MAPT (0.63) MAPTESR2NR1H2HPGDSMAPK1

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 MAPT 4054/4885CKS1B 1899/4885SKP1 3098/4885

“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.