SCHEMBL1152406

SCHEMBL1152406

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
ADRA2C P18825 1/20 0.51
TACR2 P21452 1/20 0.51
ADRA1D P25100 1/20 0.51
PTH1R Q03431 1/20 0.51
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
PGR P06401 3/20 0.31
AKR1B1 P15121 3/20 0.31
DRD2 P14416 2/20 0.30
HTR1A P08908 1/20 0.30
DRD4 P21917 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL1152408 1.00 HTR2A (0.51) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152722 0.88 HTR2A (0.52) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152721 0.88 HTR2A (0.52) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152977 0.86 ADRA2C (0.69) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1152979 0.86 ADRA2C (0.69) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1153077 0.80 ADRA2C (0.76) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1153078 0.80 ADRA2C (0.76) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1153957 0.75 ADRA2C (0.52) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1151894 0.75 HTR2A (0.71) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL1153955 0.75 ADRA2C (0.52) 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 6 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

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.