SCHEMBL1153318

SCHEMBL1153318

COc1ccc2c(c1)C(CCC(C)C)(C(F)(F)F)OCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PDE7A Q13946 1/20 0.37
PGR P06401 7/20 0.36
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
DRD4 P21917 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
DRD3 P35462 1/20 0.34
DRD2 P14416 1/20 0.34
EPHX2 P34913 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL1152680 0.86 PGR (0.46) ELOVL6PGRMAPT
SCHEMBL7650332 0.70 CYP46A1 (0.47) ELOVL6PDE3APGRMAPT
SCHEMBL2062191 0.64 PDE3B (0.50) PDE3BPDE3AMAOAMAOBPDE7A
SCHEMBL1494348 0.63 DRD4 (0.59) PDE3BPDE3AMAOAMAOBDRD4
SCHEMBL2206655 0.63 PDE3B (0.53) PDE3BPDE3AMAOAMAOBPDE7A
SCHEMBL30871998 0.63 DRD4 (0.59) PDE3BPDE3AMAOAMAOBDRD4
SCHEMBL7006860 0.62 ELOVL6 (0.47) ELOVL6PDE3BPDE3AMAOAMAOB
SCHEMBL3991201 0.62 ADAMTS5 (0.47) PDE3BPDE3AMAOAMAOBPGR
SCHEMBL17591321 0.62 PDK2 (0.42) ALDH1A1DRD3DRD2
SCHEMBL7004943 0.62 CYP46A1 (0.60) ELOVL6PDE3APDE7APGRKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489320-B1 NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR AND BENZOXAPINONE FOR TREATMENT OF HIV INFECTION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-03 US claimed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-6489320-B1 NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR AND BENZOXAPINONE FOR TREATMENT OF HIV INFECTION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-03 US disclosed
US-6140320-A FOR TREATING HIV(HUMAN IMMUNODEFICIENCY VIRUS) INFECTIONS DUPONT PHARMACEUTICALS COMPANY (US) 2000-10-31 US disclosed
EP-1009742-A1 5,5-DISUBSTITUTED-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-06-21 EP disclosed
WO-1999011635-A1 5,5-DISUBSTITUTED-1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-11 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 (2 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ELOVL6 467/4885PDE3B 816/4885PDE3A 1077/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ELOVL6 467/4885PDE3B 816/4885PDE3A 1077/4885

“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.