SCHEMBL1152693

SCHEMBL1152693

COc1cc(C=CC=CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.55
GAA P10253 5/20 0.55
HIF1A Q16665 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
MAPK1 P28482 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
OPRM1 P35372 3/20 0.55
OPRD1 P41143 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CHRM2 P08172 2/20 0.55
CHRM4 P08173 2/20 0.55
HTR1A P08908 2/20 0.55
CHRM5 P08912 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
CHRM1 P11229 2/20 0.55
DRD2 P14416 2/20 0.55
ADRA2B P18089 2/20 0.55

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
SCHEMBL1152689 1.00 LMNA (0.55) LMNAGAAHIF1ANPSR1MAPK1
SCHEMBL1152565 0.90 LMNA (0.56) LMNAGAAHIF1ANPSR1MAPK1
SCHEMBL1152562 0.90 LMNA (0.56) LMNAGAAHIF1ANPSR1MAPK1
SCHEMBL1151798 0.82 OPRD1 (0.54) LMNAGAAHIF1ANPSR1MAPK1
SCHEMBL1151794 0.82 OPRD1 (0.54) LMNAGAAHIF1ANPSR1MAPK1
SCHEMBL1152757 0.81 LMNA (0.81) LMNAGAAHIF1ANPSR1MAPK1
SCHEMBL1152760 0.81 LMNA (0.81) LMNAGAAHIF1ANPSR1MAPK1
SCHEMBL10731104 0.80 DRD2 (0.55) GAANPSR1DRD2DRD3ALDH1A1
SCHEMBL1151945 0.79 LMNA (0.52) LMNAGAAHIF1ANPSR1MAPK1
SCHEMBL1151942 0.79 LMNA (0.52) LMNAGAAHIF1ANPSR1MAPK1

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-4792553-A TREATMENT OF CARDIOVASCULAR AND CEREBROVASCULAR DISORDERS TERUMO KABUSHIKI KAISHA (JP) 1988-12-20 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 LMNA 156/4885GAA 494/4885HIF1A 1389/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS LMNA 156/4885GAA 494/4885HIF1A 1389/4885

“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.