SCHEMBL1152274

SCHEMBL1152274

COc1ccc(CN2CCN(C(c3ccccc3)c3ccc(F)cc3)CC2)c(OC)c1OC

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.91
CHRM2 P08172 2/20 0.91
OPRK1 P41145 2/20 0.91
HTT P42858 2/20 0.91
ADORA3 P0DMS8 1/20 0.91
CHRM1 P11229 1/20 0.91
DRD2 P14416 1/20 0.91
ADRA2B P18089 1/20 0.91
ADRA2C P18825 1/20 0.91
CNR1 P21554 1/20 0.91
SLC6A2 P23975 1/20 0.91
HTR2A P28223 1/20 0.91
HTR2C P28335 1/20 0.91
ADRA1A P35348 1/20 0.91
HRH1 P35367 1/20 0.91
OPRM1 P35372 1/20 0.91
DRD3 P35462 1/20 0.91
HTR2B P41595 1/20 0.91
CACNA1B Q00975 1/20 0.91
SLC6A3 Q01959 1/20 0.91

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
Hydrochloric Acid SCHEMBL7324923 0.99 LMNA (0.89) LMNACHRM2OPRK1HTTADORA3
Lomerizine SCHEMBL29496366 0.95 LMNA (1.00) LMNACHRM2OPRK1HTTADORA3
Lomerizine SCHEMBL79390 0.95 LMNA (1.00) LMNACHRM2OPRK1HTTADORA3
Lomerizine SCHEMBL1153647 0.94 LMNA (0.98) LMNACHRM2OPRK1HTTADORA3
Lomerizine SCHEMBL29439945 0.94 LMNA (0.98) LMNACHRM2OPRK1HTTADORA3
Lomerizine SCHEMBL404179 0.94 LMNA (0.98) LMNACHRM2OPRK1HTTADORA3
Lomerizine SCHEMBL1650277 0.93 LMNA (0.95) LMNACHRM2OPRK1HTTADORA3
SCHEMBL7315305 0.93 CHRM2 (0.78) LMNACHRM2OPRK1HTTADORA3
Fumaric Acid SCHEMBL7320354 0.92 LMNA (0.77) LMNACHRM2OPRK1HTTADORA3
Fumaric Acid SCHEMBL7320343 0.92 LMNA (0.77) LMNACHRM2OPRK1HTTADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159566-A1 Novel piperazine derivatives, processes for production thereof, and pharmaceutical compositions comprising said compounds as active ingredient KANEBO, LTD. (JP) 1985-10-30 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
US-4663325-A 1-(2,3,4-tri-methoxybenzyl)-4[bis(4-fluorophenyl)methyl] piperazines are useful for treating cerebrovascular disease KANEBO LTD. (JP) 1987-05-05 US disclosed
EP-0159566-A1 Novel piperazine derivatives, processes for production thereof, and pharmaceutical compositions comprising said compounds as active ingredient KANEBO, LTD. (JP) 1985-10-30 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 156/4885CHRM2 4828/4885OPRK1 3665/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS LMNA 156/4885CHRM2 4828/4885OPRK1 3665/4885

“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.