SCHEMBL1152415

SCHEMBL1152415

C=C[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
ADRA2C P18825 1/20 0.48
TACR2 P21452 1/20 0.48
ADRA1D P25100 1/20 0.48
PTH1R Q03431 1/20 0.48
CYP46A1 Q9Y6A2 6/20 0.40
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
ADRB1 P08588 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
CCKBR P32239 1/20 0.39
PPARG P37231 1/20 0.39
OPRK1 P41145 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
SCHEMBL1152418 1.00 HTR2A (0.48) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152722 0.85 HTR2A (0.52) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152721 0.85 HTR2A (0.52) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152437 0.84 HTR2A (0.49) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152439 0.84 HTR2A (0.49) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1151894 0.83 HTR2A (0.71) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1151890 0.83 HTR2A (0.71) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL7655039 0.81 HTR2A (0.55) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152149 0.81 HTR2A (0.60) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152148 0.81 HTR2A (0.60) HTR2AADRA2CTACR2ADRA1DPTH1R

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 HTR2A 4618/4885ADRA2C 2095/4885TACR2 4722/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS HTR2A 4618/4885ADRA2C 2095/4885TACR2 4722/4885

“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.