SCHEMBL1152634

SCHEMBL1152634

[3H]CC([3H])Cn1c(=O)n(C2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.60
CACNA1G O43497 4/20 0.60
CACNA1H O95180 4/20 0.60
OPRK1 P41145 4/20 0.60
HTR2A P28223 4/20 0.60
DRD3 P35462 4/20 0.60
DRD2 P14416 3/20 0.60
KCNH2 Q12809 3/20 0.60
HTR2C P28335 3/20 0.60
ADRA1A P35348 3/20 0.60
HRH1 P35367 3/20 0.60
OPRD1 P41143 3/20 0.60
HTR6 P50406 3/20 0.60
SLC6A3 Q01959 3/20 0.60
CACNA1C Q13936 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2D6 P10635 3/20 0.60
MAPK1 P28482 3/20 0.60
MTOR P42345 3/20 0.60
RAB9A P51151 3/20 0.60

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
SCHEMBL10281563 0.88 OPRM1 (0.65) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL11929305 0.85 HTR2A (0.68) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL30079786 0.84 CACNA1G (0.76) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL24709131 0.84 CACNA1G (0.76) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL11925195 0.82 SLC6A2 (0.65) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL20368998 0.80 SLC6A2 (0.62) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL1152078 0.79 CACNA1G (0.55) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL31000433 0.77 CACNA1G (0.84) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL24708799 0.77 CACNA1G (0.84) OPRM1CACNA1GCACNA1HOPRK1HTR2A
SCHEMBL11929005 0.77 SIGMAR1 (0.59) OPRM1CACNA1GCACNA1HOPRK1HTR2A

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 3 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

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 OPRM1 3829/4885CACNA1G 3832/4885CACNA1H 4234/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS OPRM1 3829/4885CACNA1G 3832/4885CACNA1H 4234/4885

“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.