SCHEMBL1152218

SCHEMBL1152218

Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.76
DRD2 P14416 6/20 0.76
CHRM1 P11229 5/20 0.76
HTR1A P08908 4/20 0.76
HTR2A P28223 4/20 0.76
DRD3 P35462 4/20 0.76
KCNH2 Q12809 4/20 0.76
ADRA2A P08913 3/20 0.76
CYP2D6 P10635 3/20 0.76
MLNR O43193 2/20 0.76
LMNA P02545 2/20 0.76
PGR P06401 2/20 0.76
ADRB2 P07550 2/20 0.76
CHRM2 P08172 2/20 0.76
ADRB1 P08588 2/20 0.76
ADRA2B P18089 2/20 0.76
ADRA2C P18825 2/20 0.76
DRD1 P21728 2/20 0.76
DRD4 P21917 2/20 0.76
SLC6A2 P23975 2/20 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
Isopropyl Alcohol SCHEMBL11845667 0.96 OPRM1 (0.71) OPRM1DRD2CHRM1HTR1AHTR2A
SCHEMBL2615398 0.95 DRD2 (0.75) OPRM1DRD2CHRM1HTR1AHTR2A
SCHEMBL2615401 0.95 DRD2 (0.75) OPRM1DRD2CHRM1HTR1AHTR2A
SCHEMBL1152828 0.92 DRD2 (0.81) OPRM1DRD2CHRM1HTR1AHTR2A
SCHEMBL2615399 0.91 OPRM1 (0.70) OPRM1DRD2CHRM1HTR1AHTR2A
SCHEMBL10034840 0.90 OPRM1 (0.91) OPRM1DRD2CHRM1HTR1AHTR2A
Clopimozide SCHEMBL123100 0.89 DRD2 (0.76) OPRM1DRD2CHRM1HTR1AHTR2A
SCHEMBL11846888 0.89 OPRM1 (0.76) OPRM1DRD2CHRM1HTR1AHTR2A
SCHEMBL1152823 0.89 DRD2 (0.76) OPRM1DRD2CHRM1HTR1AHTR2A
Clopimozide SCHEMBL29710914 0.89 DRD2 (0.76) OPRM1DRD2CHRM1HTR1AHTR2A

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 3829/4885DRD2 4871/4885CHRM1 4858/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS OPRM1 3829/4885DRD2 4871/4885CHRM1 4858/4885

“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.