SCHEMBL1152474

SCHEMBL1152474

COc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.64
DRD2 P14416 5/20 0.64
DRD3 P35462 5/20 0.64
OPRM1 P35372 4/20 0.64
CHRM2 P08172 3/20 0.64
ADORA3 P0DMS8 3/20 0.64
CHRM1 P11229 3/20 0.64
ADRA2B P18089 3/20 0.64
ADRA2C P18825 3/20 0.64
SLC6A2 P23975 3/20 0.64
HTR2A P28223 3/20 0.64
ADRA1A P35348 3/20 0.64
HRH1 P35367 3/20 0.64
HTR2B P41595 3/20 0.64
SLC6A3 Q01959 3/20 0.64
KCNH2 Q12809 3/20 0.64
OPRK1 P41145 3/20 0.64
CNR1 P21554 2/20 0.64
HTR2C P28335 2/20 0.64
CACNA1B Q00975 2/20 0.64

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
SCHEMBL1152476 1.00 LMNA (0.64) LMNADRD2DRD3OPRM1CHRM2
Hydrochloric Acid SCHEMBL9809256 0.99 LMNA (0.63) LMNADRD2DRD3OPRM1CHRM2
Hydrochloric Acid SCHEMBL9809258 0.99 LMNA (0.63) LMNADRD2DRD3OPRM1CHRM2
SCHEMBL1152774 0.93 LMNA (0.61) LMNADRD2DRD3OPRM1CHRM2
SCHEMBL1152771 0.93 LMNA (0.61) LMNADRD2DRD3OPRM1CHRM2
Fumaric Acid SCHEMBL9809225 0.92 LMNA (0.56) LMNADRD2DRD3OPRM1CHRM2
Fumaric Acid SCHEMBL9809226 0.92 LMNA (0.56) LMNADRD2DRD3OPRM1CHRM2
Fumaric Acid SCHEMBL9809223 0.92 LMNA (0.56) LMNADRD2DRD3OPRM1CHRM2
SCHEMBL1152082 0.89 LMNA (0.58) LMNADRD2DRD3OPRM1CHRM2
SCHEMBL1152080 0.89 LMNA (0.58) LMNADRD2DRD3OPRM1CHRM2

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 156/4885DRD2 4871/4885DRD3 4854/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS LMNA 156/4885DRD2 4871/4885DRD3 4854/4885

“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.