SCHEMBL1151798

SCHEMBL1151798

CCOc1cc(C=CC=CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OCC)c1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.54
LMNA P02545 5/20 0.54
HIF1A Q16665 4/20 0.54
NPSR1 Q6W5P4 4/20 0.54
CYP3A4 P08684 3/20 0.54
GAA P10253 3/20 0.54
CYP2D6 P10635 3/20 0.54
OPRM1 P35372 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CHRM2 P08172 2/20 0.54
CHRM4 P08173 2/20 0.54
HTR1A P08908 2/20 0.54
CHRM5 P08912 2/20 0.54
ADRA2A P08913 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
CHRM1 P11229 2/20 0.54
DRD2 P14416 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54

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
SCHEMBL1151794 1.00 OPRD1 (0.54) OPRD1LMNAHIF1ANPSR1CYP3A4
SCHEMBL1152562 0.85 LMNA (0.56) OPRD1LMNAHIF1ANPSR1CYP3A4
SCHEMBL1152565 0.85 LMNA (0.56) OPRD1LMNAHIF1ANPSR1CYP3A4
SCHEMBL1152689 0.82 LMNA (0.55) OPRD1LMNAHIF1ANPSR1CYP3A4
SCHEMBL1152693 0.82 LMNA (0.55) OPRD1LMNAHIF1ANPSR1CYP3A4
SCHEMBL1152757 0.81 LMNA (0.81) OPRD1LMNAHIF1ANPSR1CYP3A4
SCHEMBL1152760 0.81 LMNA (0.81) OPRD1LMNAHIF1ANPSR1CYP3A4
Hydrochloric Acid SCHEMBL7271730 0.74 KMT2A (0.62) OPRD1LMNANPSR1GAACYP2D6
SCHEMBL1151945 0.74 LMNA (0.52) OPRD1LMNAHIF1ANPSR1CYP3A4
SCHEMBL1151942 0.74 LMNA (0.52) OPRD1LMNAHIF1ANPSR1CYP3A4

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-4792553-A TREATMENT OF CARDIOVASCULAR AND CEREBROVASCULAR DISORDERS TERUMO KABUSHIKI KAISHA (JP) 1988-12-20 US disclosed
EP-0232205-A2 Diene derivatives and vasodilators containing the same TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1987-08-12 EP 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 OPRD1 4466/4885LMNA 156/4885HIF1A 1389/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS OPRD1 4466/4885LMNA 156/4885HIF1A 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.