SCHEMBL1153078

SCHEMBL1153078

C[C@@H]1O[C@](C=CC2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.76
TACR2 P21452 1/20 0.76
ADRA1D P25100 1/20 0.76
HTR2A P28223 1/20 0.76
PTH1R Q03431 1/20 0.76

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
SCHEMBL1153077 1.00 ADRA2C (0.76) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL1152722 0.82 HTR2A (0.52) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL1152721 0.82 HTR2A (0.52) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL1153957 0.81 ADRA2C (0.52) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL1153955 0.81 ADRA2C (0.52) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL1152408 0.80 HTR2A (0.51) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL1152406 0.80 HTR2A (0.51) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL1152275 0.72 CYP46A1 (0.50) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL3496644 0.71 ADRA2C (0.53) ADRA2CTACR2ADRA1DHTR2APTH1R
SCHEMBL7237516 0.71 ADRA2C (0.53) ADRA2CTACR2ADRA1DHTR2APTH1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADRA2C 2095/4885TACR2 4722/4885ADRA1D 3491/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ADRA2C 2095/4885TACR2 4722/4885ADRA1D 3491/4885

“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.