SCHEMBL1623450

SCHEMBL1623450

CC(C)(C)OC(=O)N1CCc2nc(C(C)(C)c3ccccc3)nc(N3CCOCC3)c2CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.49
RAF1 P04049 2/20 0.48
BRAF P15056 2/20 0.48
PIK3CA P42336 7/20 0.42
PIK3R1 P27986 5/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
KIT P10721 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL1621595 0.91 CKS1B (0.43) MTORRAF1BRAFGPR119KIT
SCHEMBL1621129 0.81 MTOR (0.48) MTORRAF1BRAFPIK3CAPIK3R1
SCHEMBL1622416 0.81 ADRB2 (0.43) GPR119KIT
SCHEMBL12719891 0.79 MTOR (0.48) MTORRAF1BRAFPIK3CAPIK3R1
SCHEMBL1622152 0.79 HTR2C (0.60) MTORRAF1BRAF
SCHEMBL1621294 0.77 RORC (0.38) PIK3CAGPR119
SCHEMBL1623136 0.76 MAPT (0.52) GPR119
SCHEMBL1622066 0.74 SPR (0.46) GPR119KIT
SCHEMBL441537 0.73 MTOR (0.59) MTORRAF1BRAFPIK3CAPIK3R1
SCHEMBL1832132 0.73 MTOR (0.58) MTORRAF1BRAFPIK3CAPIK3R1

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 MTOR 1961/4885RAF1 2956/4885BRAF 3629/4885

“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.