SCHEMBL7005563

SCHEMBL7005563

O=C1Nc2ccc(Cl)cc2[C@](Cl)(C(F)(F)F)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.55
CYP46A1 Q9Y6A2 3/20 0.55
NR3C1 P04150 2/20 0.55
NR1I2 O75469 1/20 0.55
ADRB1 P08588 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
MAPT P10636 1/20 0.55
CNR1 P21554 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
MAPK1 P28482 1/20 0.55
AGTR1 P30556 1/20 0.55
CCKBR P32239 1/20 0.55
PPARG P37231 1/20 0.55
OPRK1 P41145 1/20 0.55
SLC6A3 Q01959 1/20 0.55
PDE4D Q08499 1/20 0.55
PDE3A Q14432 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL7005569 1.00 PGR (0.55) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL4162713 0.81 CYP46A1 (0.56) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL7006860 0.80 ELOVL6 (0.47) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL14002297 0.77 CYP46A1 (0.67) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL3037679 0.77 ELOVL6 (0.62) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL13908045 0.77 ELOVL6 (0.51) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL8075473 0.77 CYP46A1 (0.67) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL12826489 0.77 CYP46A1 (0.60) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL4161073 0.77 CYP46A1 (0.60) PGRCYP46A1NR3C1NR1I2ADRB1
SCHEMBL3037416 0.77 PGR (0.51) PGRCYP46A1NR3C1NR1I2ADRB1

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
EP-1359147-A1 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and processes for making the same Bristol-Myers Squibb Pharma Company (US) 2003-11-05 EP disclosed
US-6492515-B2 FOR THERAPY OF HIV INFECTION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-10 US disclosed
US-20020040138-A1 4,4-disubstituted-1, 4-dihydro-2H-3, 1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-04 US disclosed
US-6303780-B1 4,4-disubstituted-1,4-dihydro-2h-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DUPONT PHARMACEUTICALS COMPANY 2001-10-16 US disclosed
US-6140499-A 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DUPONT PHARMACEUTICAL COMPANY (US) 2000-10-31 US disclosed
US-5874430-A COMPOUNDS AS PROTEASE, REVERSE TRANSCRIPTASE INHIBITORS FOR DIAGNOSIS DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-23 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-20020040138-A1 4,4-disubstituted-1, 4-dihydro-2H-3, 1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DHX15, CYP4X1, DPYD PGR 1770/4885CYP46A1 486/4885NR3C1 1165/4885

“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.