SCHEMBL1152484

SCHEMBL1152484

COc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
OPRM1 P35372 4/20 0.56
HIF1A Q16665 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP2D6 P10635 3/20 0.56
CHRM2 P08172 3/20 0.56
ADORA3 P0DMS8 3/20 0.56
CHRM1 P11229 3/20 0.56
DRD2 P14416 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
SLC6A2 P23975 3/20 0.56
HTR2A P28223 3/20 0.56
ADRA1A P35348 3/20 0.56
HRH1 P35367 3/20 0.56
DRD3 P35462 3/20 0.56
HTR2B P41595 3/20 0.56
SLC6A3 Q01959 3/20 0.56
KCNH2 Q12809 3/20 0.56

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
SCHEMBL1152486 1.00 LMNA (0.56) LMNAOPRM1HIF1AMEN1KMT2A
SCHEMBL1152798 0.94 LMNA (0.51) LMNAOPRM1HIF1AMEN1KMT2A
SCHEMBL1152796 0.94 LMNA (0.51) LMNAOPRM1HIF1AMEN1KMT2A
Fumaric Acid SCHEMBL9809236 0.92 LMNA (0.51) LMNAOPRM1HIF1AMEN1KMT2A
Fumaric Acid SCHEMBL9809238 0.92 LMNA (0.51) LMNAOPRM1HIF1AMEN1KMT2A
Fumaric Acid SCHEMBL9809232 0.92 LMNA (0.51) LMNAOPRM1HIF1AMEN1KMT2A
SCHEMBL1151668 0.89 LMNA (0.57) LMNAOPRM1HIF1AMEN1KMT2A
SCHEMBL1151665 0.89 LMNA (0.57) LMNAOPRM1HIF1AMEN1KMT2A
SCHEMBL1152474 0.84 LMNA (0.64) LMNAOPRM1HIF1AMEN1KMT2A
SCHEMBL1152476 0.84 LMNA (0.64) LMNAOPRM1HIF1AMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187639-B1 NOVEL PIPERAZINE DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AS ACTIVE INGREDIENT KANEBO, LTD. (JP) 1991-05-02 EP claimed
US-4703048-A Novel 1-benzhydryl-4-cinnamylpiperazine derivatives, and pharmaceutical compositions comprising said compounds as active ingredient for treating a cerebrovascular disease KANEBO LTD. (JP) 1987-10-27 US claimed
EP-0187639-A1 Novel piperazine derivatives, processes for production thereof, and pharmaceutical compositions comprising said compounds as active ingredient KANEBO, LTD. (JP) 1986-07-16 EP claimed
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
EP-0187639-B1 NOVEL PIPERAZINE DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AS ACTIVE INGREDIENT KANEBO, LTD. (JP) 1991-05-02 EP disclosed
US-4703048-A Novel 1-benzhydryl-4-cinnamylpiperazine derivatives, and pharmaceutical compositions comprising said compounds as active ingredient for treating a cerebrovascular disease KANEBO LTD. (JP) 1987-10-27 US disclosed
EP-0187639-A1 Novel piperazine derivatives, processes for production thereof, and pharmaceutical compositions comprising said compounds as active ingredient KANEBO, LTD. (JP) 1986-07-16 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 LMNA 156/4885OPRM1 3829/4885HIF1A 1389/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS LMNA 156/4885OPRM1 3829/4885HIF1A 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.