SCHEMBL1152913

SCHEMBL1152913

CC(C)C#C[C@]1(C(F)(F)F)OCC(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.49
CYP46A1 Q9Y6A2 6/20 0.49
NR1I2 O75469 1/20 0.49
NR3C1 P04150 1/20 0.49
ADRB1 P08588 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
MAPT P10636 1/20 0.49
CNR1 P21554 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
MAPK1 P28482 1/20 0.49
AGTR1 P30556 1/20 0.49
CCKBR P32239 1/20 0.49
PPARG P37231 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1152420 1.00 PGR (0.49) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL1152289 0.88 PGR (0.46) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL1152462 0.84 CYP46A1 (0.59) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL1152605 0.82 PGR (0.72) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL7661111 0.81 PGR (0.48) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL7656943 0.81 PGR (0.39) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL7655812 0.79 CYP46A1 (0.50) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL7659985 0.77 CYP46A1 (0.45) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL1153437 0.73 PGR (0.42) PGRCYP46A1NR1I2NR3C1ADRB1
SCHEMBL1153433 0.73 PGR (0.42) PGRCYP46A1NR1I2NR3C1ADRB1

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 PGR 3332/4885CYP46A1 1649/4885NR1I2 4028/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS PGR 3332/4885CYP46A1 1649/4885NR1I2 4028/4885

“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.