SCHEMBL1152823

SCHEMBL1152823

O=c1[nH]c2cc(I)ccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.76
KCNH2 Q12809 7/20 0.76
HTR1A P08908 6/20 0.76
HTR2A P28223 6/20 0.76
DRD3 P35462 6/20 0.76
CYP2D6 P10635 5/20 0.76
CHRM1 P11229 4/20 0.76
ADRA2A P08913 4/20 0.76
HTR2C P28335 4/20 0.76
HTR2B P41595 4/20 0.76
OPRM1 P35372 4/20 0.76
DRD4 P21917 3/20 0.76
LMNA P02545 3/20 0.76
ADRB2 P07550 3/20 0.76
ADRB1 P08588 3/20 0.76
ADRA2B P18089 3/20 0.76
ADRA2C P18825 3/20 0.76
SLC6A2 P23975 3/20 0.76
ADRA1A P35348 3/20 0.76
HRH1 P35367 3/20 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
SCHEMBL1152828 0.92 DRD2 (0.81) DRD2KCNH2HTR1AHTR2ADRD3
SCHEMBL1152218 0.89 OPRM1 (0.76) DRD2KCNH2HTR1AHTR2ADRD3
Clopimozide SCHEMBL29710914 0.89 DRD2 (0.76) DRD2KCNH2HTR1AHTR2ADRD3
Clopimozide SCHEMBL123100 0.89 DRD2 (0.76) DRD2KCNH2HTR1AHTR2ADRD3
SCHEMBL11846888 0.89 OPRM1 (0.76) DRD2KCNH2HTR1AHTR2ADRD3
SCHEMBL2615398 0.88 DRD2 (0.75) DRD2KCNH2HTR1AHTR2ADRD3
SCHEMBL2615401 0.88 DRD2 (0.75) DRD2KCNH2HTR1AHTR2ADRD3
SCHEMBL13285211 0.87 DRD2 (0.77) DRD2KCNH2HTR1AHTR2ADRD3
Pimozide SCHEMBL14127068 0.86 DRD2 (1.00) DRD2KCNH2HTR1AHTR2ADRD3
Pimozide SCHEMBL41584 0.86 DRD2 (1.00) DRD2KCNH2HTR1AHTR2ADRD3

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 4 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-3989707-A NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-02 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 DRD2 4871/4885KCNH2 2148/4885HTR1A 4623/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS DRD2 4871/4885KCNH2 2148/4885HTR1A 4623/4885

“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.